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

C40H49N11O4 — CID 145062697

IUPAC6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(-c2cnn(Cc3cccc(C(=O)NC4CCN(C(=O)c5cc(C(C)C)[nH]n5)C4)n3)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C40H49N11O4/c1-23(2)32-16-35(47-45-32)39(53)49-12-10-26(19-49)34-14-27(15-37(44-34)55-25(5)6)28-18-41-51(20-28)22-29-8-7-9-31(42-29)38(52)43-30-11-13-50(21-30)40(54)36-17-33(24(3)4)46-48-36/h7-9,14-18,20,23-26,30H,10-13,19,21-22H2,1-6H3,(H,43,52)(H,45,47)(H,46,48)
InChIKeyHPUAXCWDRZBHCR-UHFFFAOYSA-N
MW747.91 g/mol
LogP5.14
Rot. Bonds12

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

6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 145062697) has the molecular formula C40H49N11O4 and a molecular weight of 747.91 g/mol. Its IUPAC name is 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID145062697
Molecular FormulaC40H49N11O4
Molecular Weight747.91 g/mol
Exact Mass747.40
IUPAC Name6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1cc(-c2cnn(Cc3cccc(C(=O)NC4CCN(C(=O)c5cc(C(C)C)[nH]n5)C4)n3)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C40H49N11O4/c1-23(2)32-16-35(47-45-32)39(53)49-12-10-26(19-49)34-14-27(15-37(44-34)55-25(5)6)28-18-41-51(20-28)22-29-8-7-9-31(42-29)38(52)43-30-11-13-50(21-30)40(54)36-17-33(24(3)4)46-48-36/h7-9,14-18,20,23-26,30H,10-13,19,21-22H2,1-6H3,(H,43,52)(H,45,47)(H,46,48)
InChIKeyHPUAXCWDRZBHCR-UHFFFAOYSA-N
XLogP5.14
TPSA179.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.91
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N,N-dimethyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrole-2-carboxamide
CID 56941505
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
morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrol-2-yl]methanone
CID 56941658
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
3-Tert-butyl-5-[6-(furan-3-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365675
[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
3-phenyl-N-[1-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 117694577

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 145062697) is 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide is CC(C)Oc1cc(-c2cnn(Cc3cccc(C(=O)NC4CCN(C(=O)c5cc(C(C)C)[nH]n5)C4)n3)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is HPUAXCWDRZBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N11O4/c1-23(2)32-16-35(47-45-32)39(53)49-12-10-26(19-49)34-14-27(15-37(44-34)55-25(5)6)28-18-41-51(20-28)22-29-8-7-9-31(42-29)38(52)43-30-11-13-50(21-30)40(54)36-17-33(24(3)4)46-48-36/h7-9,14-18,20,23-26,30H,10-13,19,21-22H2,1-6H3,(H,43,52)(H,45,47)(H,46,48).
What are the key properties of 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide?
6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 747.91 g/mol, XLogP of 5.14, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-propan-2-yloxy-6-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-4-pyridinyl]pyrazol-1-yl]methyl]-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 145062697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).