N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

C100H97F5N28O12 — CID 158030026

IUPACN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.C=CCN(C(=O)c1cccnc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(F)nc4)nc3)nc21
InChIInChI=1S/C26H24F3N7O3.C26H26FN7O3.C25H25N7O3.C23H22FN7O3/c1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17;1-2-11-32-23-21(25(36)34(26(32)37)18-7-8-18)30-22(31-23)16-6-10-20(29-12-16)33(14-15-3-4-15)24(35)17-5-9-19(27)28-13-17;1-3-12-30(23(33)17-6-5-11-26-14-17)19-10-7-16(15-27-19)21-28-20-22(29-21)31(13-4-2)25(35)32(24(20)34)18-8-9-18;1-3-10-30-20-18(22(33)31(23(30)34)15-6-7-15)27-19(28-20)13-5-9-17(26-11-13)29(2)21(32)14-4-8-16(24)25-12-14/h3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33);5-6,9-10,12-13,15,18H,2-4,7-8,11,14H2,1H3,(H,30,31);3,5-7,10-11,14-15,18H,1,4,8-9,12-13H2,2H3,(H,28,29);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,27,28)
InChIKeyFHBLWFPYXJLQBY-UHFFFAOYSA-N
MW1978.05 g/mol
LogP12.65
Rot. Bonds30

About N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158030026) has the molecular formula C100H97F5N28O12 and a molecular weight of 1978.05 g/mol. Its IUPAC name is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID158030026
Molecular FormulaC100H97F5N28O12
Molecular Weight1978.05 g/mol
Exact Mass1976.78
IUPAC NameN-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.C=CCN(C(=O)c1cccnc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(F)nc4)nc3)nc21
InChIInChI=1S/C26H24F3N7O3.C26H26FN7O3.C25H25N7O3.C23H22FN7O3/c1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17;1-2-11-32-23-21(25(36)34(26(32)37)18-7-8-18)30-22(31-23)16-6-10-20(29-12-16)33(14-15-3-4-15)24(35)17-5-9-19(27)28-13-17;1-3-12-30(23(33)17-6-5-11-26-14-17)19-10-7-16(15-27-19)21-28-20-22(29-21)31(13-4-2)25(35)32(24(20)34)18-8-9-18;1-3-10-30-20-18(22(33)31(23(30)34)15-6-7-15)27-19(28-20)13-5-9-17(26-11-13)29(2)21(32)14-4-8-16(24)25-12-14/h3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33);5-6,9-10,12-13,15,18H,2-4,7-8,11,14H2,1H3,(H,30,31);3,5-7,10-11,14-15,18H,1,4,8-9,12-13H2,2H3,(H,28,29);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,27,28)
InChIKeyFHBLWFPYXJLQBY-UHFFFAOYSA-N
XLogP12.65
TPSA475.08 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.05
LogP ≤ 512.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 158030026) is N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is C=CCN(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.C=CCN(C(=O)c1cccnc1)c1ccc(-c2nc3c([nH]2)c(=O)n(C2CC2)c(=O)n3CCC)cn1.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(F)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(F)nc4)nc3)nc21.
What is the InChIKey of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FHBLWFPYXJLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O3.C26H26FN7O3.C25H25N7O3.C23H22FN7O3/c1-3-11-34(23(37)16-5-9-18(30-14-16)26(27,28)29)19-10-6-15(13-31-19)21-32-20-22(33-21)35(12-4-2)25(39)36(24(20)38)17-7-8-17;1-2-11-32-23-21(25(36)34(26(32)37)18-7-8-18)30-22(31-23)16-6-10-20(29-12-16)33(14-15-3-4-15)24(35)17-5-9-19(27)28-13-17;1-3-12-30(23(33)17-6-5-11-26-14-17)19-10-7-16(15-27-19)21-28-20-22(29-21)31(13-4-2)25(35)32(24(20)34)18-8-9-18;1-3-10-30-20-18(22(33)31(23(30)34)15-6-7-15)27-19(28-20)13-5-9-17(26-11-13)29(2)21(32)14-4-8-16(24)25-12-14/h3,5-6,9-10,13-14,17H,1,4,7-8,11-12H2,2H3,(H,32,33);5-6,9-10,12-13,15,18H,2-4,7-8,11,14H2,1H3,(H,30,31);3,5-7,10-11,14-15,18H,1,4,8-9,12-13H2,2H3,(H,28,29);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,27,28).
What are the key properties of N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1978.05 g/mol, XLogP of 12.65, 30 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-6-fluoropyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158030026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).