N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C29H21FN8O — CID 137102234

IUPACN-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESFc1c(-c2cncc(CNCc3ccccc3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C29H21FN8O/c30-24-23-22(15-34-25(24)20-10-18(13-32-14-20)12-31-11-17-4-2-1-3-5-17)37-38-27(23)29-35-26-21(19-7-9-39-16-19)6-8-33-28(26)36-29/h1-10,13-16,31H,11-12H2,(H,37,38)(H,33,35,36)
InChIKeySGLWBXDFUOCDSE-UHFFFAOYSA-N
MW516.54 g/mol
LogP5.65
Rot. Bonds7

About N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 137102234) has the molecular formula C29H21FN8O and a molecular weight of 516.54 g/mol. Its IUPAC name is N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
PubChem CID137102234
Molecular FormulaC29H21FN8O
Molecular Weight516.54 g/mol
Exact Mass516.18
IUPAC NameN-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
SMILESFc1c(-c2cncc(CNCc3ccccc3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12
InChIInChI=1S/C29H21FN8O/c30-24-23-22(15-34-25(24)20-10-18(13-32-14-20)12-31-11-17-4-2-1-3-5-17)37-38-27(23)29-35-26-21(19-7-9-39-16-19)6-8-33-28(26)36-29/h1-10,13-16,31H,11-12H2,(H,37,38)(H,33,35,36)
InChIKeySGLWBXDFUOCDSE-UHFFFAOYSA-N
XLogP5.65
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]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-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 137102234) is N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Fc1c(-c2cncc(CNCc3ccccc3)c2)ncc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c12.
What is the InChIKey of N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
The InChIKey is SGLWBXDFUOCDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN8O/c30-24-23-22(15-34-25(24)20-10-18(13-32-14-20)12-31-11-17-4-2-1-3-5-17)37-38-27(23)29-35-26-21(19-7-9-39-16-19)6-8-33-28(26)36-29/h1-10,13-16,31H,11-12H2,(H,37,38)(H,33,35,36).
What are the key properties of N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?
N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 516.54 g/mol, XLogP of 5.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 137102234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).