4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide

C20H22FN7O — CID 10069257

IUPAC4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCC(C)Nc1nccc(N2CCc3[nH]nc(NC(=O)c4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C20H22FN7O/c1-12(2)23-20-22-9-7-17(24-20)28-10-8-16-15(11-28)18(27-26-16)25-19(29)13-3-5-14(21)6-4-13/h3-7,9,12H,8,10-11H2,1-2H3,(H,22,23,24)(H2,25,26,27,29)
InChIKeyZAPSGOJKDZPNRF-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.97
Rot. Bonds5

About 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide

4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 10069257) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID10069257
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESCC(C)Nc1nccc(N2CCc3[nH]nc(NC(=O)c4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C20H22FN7O/c1-12(2)23-20-22-9-7-17(24-20)28-10-8-16-15(11-28)18(27-26-16)25-19(29)13-3-5-14(21)6-4-13/h3-7,9,12H,8,10-11H2,1-2H3,(H,22,23,24)(H2,25,26,27,29)
InChIKeyZAPSGOJKDZPNRF-UHFFFAOYSA-N
XLogP2.97
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide 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 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 10069257) is 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide is CC(C)Nc1nccc(N2CCc3[nH]nc(NC(=O)c4ccc(F)cc4)c3C2)n1.
What is the InChIKey of 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is ZAPSGOJKDZPNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-12(2)23-20-22-9-7-17(24-20)28-10-8-16-15(11-28)18(27-26-16)25-19(29)13-3-5-14(21)6-4-13/h3-7,9,12H,8,10-11H2,1-2H3,(H,22,23,24)(H2,25,26,27,29).
What are the key properties of 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide?
4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 395.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 10069257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).