N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C29H22N8O — CID 136943665

IUPACN-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2cncc(-c3cc4c(-c5nc6c(-c7ccoc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
InChIInChI=1S/C29H22N8O/c1-2-4-18(5-3-1)12-30-13-19-10-21(15-31-14-19)24-11-22-25(16-33-24)36-37-27(22)29-34-23-6-8-32-26(28(23)35-29)20-7-9-38-17-20/h1-11,14-17,30H,12-13H2,(H,34,35)(H,36,37)
InChIKeyQNXFIMZCQYVNTN-UHFFFAOYSA-N
MW498.55 g/mol
LogP5.51
Rot. Bonds7

About N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 136943665) has the molecular formula C29H22N8O and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
PubChem CID136943665
Molecular FormulaC29H22N8O
Molecular Weight498.55 g/mol
Exact Mass498.19
IUPAC NameN-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCc2cncc(-c3cc4c(-c5nc6c(-c7ccoc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
InChIInChI=1S/C29H22N8O/c1-2-4-18(5-3-1)12-30-13-19-10-21(15-31-14-19)24-11-22-25(16-33-24)36-37-27(22)29-34-23-6-8-32-26(28(23)35-29)20-7-9-38-17-20/h1-11,14-17,30H,12-13H2,(H,34,35)(H,36,37)
InChIKeyQNXFIMZCQYVNTN-UHFFFAOYSA-N
XLogP5.51
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 136943665) is N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is c1ccc(CNCc2cncc(-c3cc4c(-c5nc6c(-c7ccoc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1.
What is the InChIKey of N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is QNXFIMZCQYVNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N8O/c1-2-4-18(5-3-1)12-30-13-19-10-21(15-31-14-19)24-11-22-25(16-33-24)36-37-27(22)29-34-23-6-8-32-26(28(23)35-29)20-7-9-38-17-20/h1-11,14-17,30H,12-13H2,(H,34,35)(H,36,37).
What are the key properties of N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 498.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 136943665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).