4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C28H26F3N7O2 — CID 90311497

IUPAC4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccc2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nn2[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C28H26F3N7O2/c29-28(30,31)19-9-11-33-22(14-19)35-26(39)17-5-3-16(4-6-17)24-23-21(10-12-34-25(23)32)38(36-24)20-2-1-13-37(15-20)27(40)18-7-8-18/h3-6,9-12,14,18,20H,1-2,7-8,13,15H2,(H2,32,34)(H,33,35,39)/t20-/m1/s1
InChIKeyKOWYLHQEBHIVHF-HXUWFJFHSA-N
MW549.56 g/mol
LogP4.92
Rot. Bonds5

About 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 90311497) has the molecular formula C28H26F3N7O2 and a molecular weight of 549.56 g/mol. Its IUPAC name is 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID90311497
Molecular FormulaC28H26F3N7O2
Molecular Weight549.56 g/mol
Exact Mass549.21
IUPAC Name4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1nccc2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nn2[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C28H26F3N7O2/c29-28(30,31)19-9-11-33-22(14-19)35-26(39)17-5-3-16(4-6-17)24-23-21(10-12-34-25(23)32)38(36-24)20-2-1-13-37(15-20)27(40)18-7-8-18/h3-6,9-12,14,18,20H,1-2,7-8,13,15H2,(H2,32,34)(H,33,35,39)/t20-/m1/s1
InChIKeyKOWYLHQEBHIVHF-HXUWFJFHSA-N
XLogP4.92
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]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-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 90311497) is 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1nccc2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nn2[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is KOWYLHQEBHIVHF-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H26F3N7O2/c29-28(30,31)19-9-11-33-22(14-19)35-26(39)17-5-3-16(4-6-17)24-23-21(10-12-34-25(23)32)38(36-24)20-2-1-13-37(15-20)27(40)18-7-8-18/h3-6,9-12,14,18,20H,1-2,7-8,13,15H2,(H2,32,34)(H,33,35,39)/t20-/m1/s1.
What are the key properties of 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 549.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 90311497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).