N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide

C21H22FN5O — CID 150407348

IUPACN-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12)C1CCCC1
InChIInChI=1S/C21H22FN5O/c22-16-11-15-18(26-27-19(15)25-21(28)13-5-1-2-6-13)24-20(16)23-17-10-4-8-12-7-3-9-14(12)17/h4,8,10-11,13H,1-3,5-7,9H2,(H3,23,24,25,26,27,28)
InChIKeyHFAXYEWXBJNGFM-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.46
Rot. Bonds4

About N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide

N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide (PubChem CID 150407348) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
PubChem CID150407348
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC NameN-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12)C1CCCC1
InChIInChI=1S/C21H22FN5O/c22-16-11-15-18(26-27-19(15)25-21(28)13-5-1-2-6-13)24-20(16)23-17-10-4-8-12-7-3-9-14(12)17/h4,8,10-11,13H,1-3,5-7,9H2,(H3,23,24,25,26,27,28)
InChIKeyHFAXYEWXBJNGFM-UHFFFAOYSA-N
XLogP4.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide (CID 150407348) is N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide is O=C(Nc1n[nH]c2nc(Nc3cccc4c3CCC4)c(F)cc12)C1CCCC1.
What is the InChIKey of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
The InChIKey is HFAXYEWXBJNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-16-11-15-18(26-27-19(15)25-21(28)13-5-1-2-6-13)24-20(16)23-17-10-4-8-12-7-3-9-14(12)17/h4,8,10-11,13H,1-3,5-7,9H2,(H3,23,24,25,26,27,28).
What are the key properties of N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide?
N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1H-inden-4-ylamino)-5-fluoro-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 150407348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).