2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine

C29H24F2N8O — CID 137312962

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)[nH]c23)c1
InChIInChI=1S/C29H24F2N8O/c1-40-20-4-2-3-18(12-20)21-7-9-33-27-24(21)35-28(36-27)26-25-23(37-38-26)6-5-22(34-25)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,37,38)(H,33,35,36)
InChIKeyPKWLVOOPTLEIIS-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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 137312962) 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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID137312962
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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)[nH]c23)c1
InChIInChI=1S/C29H24F2N8O/c1-40-20-4-2-3-18(12-20)21-7-9-33-27-24(21)35-28(36-27)26-25-23(37-38-26)6-5-22(34-25)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,37,38)(H,33,35,36)
InChIKeyPKWLVOOPTLEIIS-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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine with MolForge

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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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 137312962) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is COc1cccc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)[nH]c23)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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is PKWLVOOPTLEIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N8O/c1-40-20-4-2-3-18(12-20)21-7-9-33-27-24(21)35-28(36-27)26-25-23(37-38-26)6-5-22(34-25)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,37,38)(H,33,35,36).
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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]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]-7-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137312962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).