2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine

C29H24F2N8O — CID 137312502

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)nc23)c1
InChIInChI=1S/C29H24F2N8O/c1-40-20-4-2-3-18(12-20)24-25-22(7-9-33-24)35-28(36-25)27-26-23(37-38-27)6-5-21(34-26)19-11-17(13-32-14-19)15-39-10-8-29(30,31)16-39/h2-7,9,11-14H,8,10,15-16H2,1H3,(H,35,36)(H,37,38)
InChIKeyUEWCNHRTJRWYFK-UHFFFAOYSA-N
MW538.56 g/mol
LogP5.47
Rot. Bonds6

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 137312502) has the molecular formula C29H24F2N8O and a molecular weight of 538.56 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
PubChem CID137312502
Molecular FormulaC29H24F2N8O
Molecular Weight538.56 g/mol
Exact Mass538.20
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)nc23)c1
InChIInChI=1S/C29H24F2N8O/c1-40-20-4-2-3-18(12-20)24-25-22(7-9-33-24)35-28(36-25)27-26-23(37-38-27)6-5-21(34-26)19-11-17(13-32-14-19)15-39-10-8-29(30,31)16-39/h2-7,9,11-14H,8,10,15-16H2,1H3,(H,35,36)(H,37,38)
InChIKeyUEWCNHRTJRWYFK-UHFFFAOYSA-N
XLogP5.47
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.56
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
1-[3-(3-fluoro-5-methoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 118057812
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471801
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7-(6-methoxy-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390673
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168279197
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168280914

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine (CID 137312502) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine is COc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)nc23)c1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is UEWCNHRTJRWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N8O/c1-40-20-4-2-3-18(12-20)24-25-22(7-9-33-24)35-28(36-25)27-26-23(37-38-27)6-5-21(34-26)19-11-17(13-32-14-19)15-39-10-8-29(30,31)16-39/h2-7,9,11-14H,8,10,15-16H2,1H3,(H,35,36)(H,37,38).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 538.56 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(3-methoxyphenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 137312502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).