6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C114H111Cl3F3N35O15 — CID 158247162

About 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158247162) has the molecular formula C114H111Cl3F3N35O15 and a molecular weight of 2374.72 g/mol. Its IUPAC name is 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 158247162
• Molecular Formula: C114H111Cl3F3N35O15
• Molecular Weight: 2374.72 g/mol
• Exact Mass: 2371.80
• IUPAC Name: 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cccnc4)nc3)nc21.CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc2n(CC)c1=O.CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc21
• InChI: InChI=1S/C24H24F3N7O3.2C23H22ClN7O3.C23H23N7O3.C21H20ClN7O3/c1-4-10-33-20-18(22(36)34(11-5-2)23(33)37)30-19(31-20)14-7-9-17(29-12-14)32(3)21(35)15-6-8-16(28-13-15)24(25,26)27;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;1-3-30-20-18(22(33)31(23(30)34)12-13-4-5-13)27-19(28-20)14-7-9-17(26-10-14)29(2)21(32)15-6-8-16(24)25-11-15;1-3-11-29-20-18(22(32)30(23(29)33)16-7-8-16)26-19(27-20)14-6-9-17(25-13-14)28(2)21(31)15-5-4-10-24-12-15;1-4-28-18-16(20(31)29(5-2)21(28)32)25-17(26-18)12-7-9-15(24-10-12)27(3)19(30)13-6-8-14(22)23-11-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,30,31);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,27,28);6-11,13H,3-5,12H2,1-2H3,(H,27,28);4-6,9-10,12-13,16H,3,7-8,11H2,1-2H3,(H,26,27);6-11H,4-5H2,1-3H3,(H,25,26)
• InChIKey: GGGKJPCUTYZPIW-UHFFFAOYSA-N
• XLogP: 13.86
• TPSA: 593.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.72
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 158247162) is 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(C(F)(F)F)nc4)nc3)nc2n(CCC)c1=O.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc21.CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4cccnc4)nc3)nc21.CCn1c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc2n(CC)c1=O.CCn1c(=O)n(CC2CC2)c(=O)c2[nH]c(-c3ccc(N(C)C(=O)c4ccc(Cl)nc4)nc3)nc21.

What is the InChIKey of 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is GGGKJPCUTYZPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3.2C23H22ClN7O3.C23H23N7O3.C21H20ClN7O3/c1-4-10-33-20-18(22(36)34(11-5-2)23(33)37)30-19(31-20)14-7-9-17(29-12-14)32(3)21(35)15-6-8-16(28-13-15)24(25,26)27;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;1-3-30-20-18(22(33)31(23(30)34)12-13-4-5-13)27-19(28-20)14-7-9-17(26-10-14)29(2)21(32)15-6-8-16(24)25-11-15;1-3-11-29-20-18(22(32)30(23(29)33)16-7-8-16)26-19(27-20)14-6-9-17(25-13-14)28(2)21(31)15-5-4-10-24-12-15;1-4-28-18-16(20(31)29(5-2)21(28)32)25-17(26-18)12-7-9-15(24-10-12)27(3)19(30)13-6-8-14(22)23-11-13/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,30,31);4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,27,28);6-11,13H,3-5,12H2,1-2H3,(H,27,28);4-6,9-10,12-13,16H,3,7-8,11H2,1-2H3,(H,26,27);6-11H,4-5H2,1-3H3,(H,25,26).

What are the key properties of 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?

6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 2374.72 g/mol, XLogP of 13.86, 30 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158247162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).