[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide

C43H59N11O4 — CID 145062570

IUPAC[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccn3)C2)n[nH]1.CCC
InChIInChI=1S/C23H30N6O2.C17H21N5O2.C3H8/c1-14(2)19-10-21(27-26-19)23(30)29-7-6-16(13-29)20-8-17(18-11-24-28(5)12-18)9-22(25-20)31-15(3)4;1-11(2)14-9-15(21-20-14)17(24)22-8-6-12(10-22)19-16(23)13-5-3-4-7-18-13;1-3-2/h8-12,14-16H,6-7,13H2,1-5H3,(H,26,27);3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,19,23)(H,20,21);3H2,1-2H3
InChIKeyJMYDKPQDKAOBGK-UHFFFAOYSA-N
MW794.02 g/mol
LogP6.73
Rot. Bonds10

About [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide

[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 145062570) has the molecular formula C43H59N11O4 and a molecular weight of 794.02 g/mol. Its IUPAC name is [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID145062570
Molecular FormulaC43H59N11O4
Molecular Weight794.02 g/mol
Exact Mass793.48
IUPAC Name[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccn3)C2)n[nH]1.CCC
InChIInChI=1S/C23H30N6O2.C17H21N5O2.C3H8/c1-14(2)19-10-21(27-26-19)23(30)29-7-6-16(13-29)20-8-17(18-11-24-28(5)12-18)9-22(25-20)31-15(3)4;1-11(2)14-9-15(21-20-14)17(24)22-8-6-12(10-22)19-16(23)13-5-3-4-7-18-13;1-3-2/h8-12,14-16H,6-7,13H2,1-5H3,(H,26,27);3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,19,23)(H,20,21);3H2,1-2H3
InChIKeyJMYDKPQDKAOBGK-UHFFFAOYSA-N
XLogP6.73
TPSA179.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.02
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
CID 56941507
morpholin-4-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
CID 56941508
N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 56941659
4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 56941798
[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 66829120
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]methanone
CID 71007923
US10022354, Example 13
CID 121279551
US10022354, Example 143
CID 132070199
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methanone
CID 141490146
2,6-dimethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-2-ylcyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide
CID 160551672
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)((1R,3s,5S)-3-(pyridin-2-yloxy)-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195501
N-[(5-Methylfuran-2-YL)methyl]-1-[5-(pyridin-4-YL)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 53087562

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 145062570) is [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide is CC(C)Oc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccn3)C2)n[nH]1.CCC.
What is the InChIKey of [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is JMYDKPQDKAOBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2.C17H21N5O2.C3H8/c1-14(2)19-10-21(27-26-19)23(30)29-7-6-16(13-29)20-8-17(18-11-24-28(5)12-18)9-22(25-20)31-15(3)4;1-11(2)14-9-15(21-20-14)17(24)22-8-6-12(10-22)19-16(23)13-5-3-4-7-18-13;1-3-2/h8-12,14-16H,6-7,13H2,1-5H3,(H,26,27);3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,19,23)(H,20,21);3H2,1-2H3.
What are the key properties of [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 794.02 g/mol, XLogP of 6.73, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;propane;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 145062570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).