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

C27H23FN8O2 — CID 136945365

IUPACN-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C27H23FN8O2/c1-27(2,3)9-19(37)32-16-8-15(10-29-11-16)17-12-31-25-20(21(17)28)24(35-36-25)26-33-18-4-6-30-22(23(18)34-26)14-5-7-38-13-14/h4-8,10-13H,9H2,1-3H3,(H,32,37)(H,33,34)(H,31,35,36)
InChIKeyBUVNOCVHFBAVQE-UHFFFAOYSA-N
MW510.53 g/mol
LogP5.73
Rot. Bonds5

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

N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 136945365) has the molecular formula C27H23FN8O2 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID136945365
Molecular FormulaC27H23FN8O2
Molecular Weight510.53 g/mol
Exact Mass510.19
IUPAC NameN-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1
InChIInChI=1S/C27H23FN8O2/c1-27(2,3)9-19(37)32-16-8-15(10-29-11-16)17-12-31-25-20(21(17)28)24(35-36-25)26-33-18-4-6-30-22(23(18)34-26)14-5-7-38-13-14/h4-8,10-13H,9H2,1-3H3,(H,32,37)(H,33,34)(H,31,35,36)
InChIKeyBUVNOCVHFBAVQE-UHFFFAOYSA-N
XLogP5.73
TPSA138.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.53
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 136945365) is N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2F)c1.
What is the InChIKey of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is BUVNOCVHFBAVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN8O2/c1-27(2,3)9-19(37)32-16-8-15(10-29-11-16)17-12-31-25-20(21(17)28)24(35-36-25)26-33-18-4-6-30-22(23(18)34-26)14-5-7-38-13-14/h4-8,10-13H,9H2,1-3H3,(H,32,37)(H,33,34)(H,31,35,36).
What are the key properties of N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
N-[5-[4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 510.53 g/mol, XLogP of 5.73, 5 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-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 136945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).