4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide

C25H26N6O — CID 146562766

IUPAC4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide
SMILESCc1cnc(N)c2c(-c3ccc(C(=O)Nc4ccccc4)cc3)nn(C3CCCNC3)c12
InChIInChI=1S/C25H26N6O/c1-16-14-28-24(26)21-22(30-31(23(16)21)20-8-5-13-27-15-20)17-9-11-18(12-10-17)25(32)29-19-6-3-2-4-7-19/h2-4,6-7,9-12,14,20,27H,5,8,13,15H2,1H3,(H2,26,28)(H,29,32)
InChIKeyALACOCDMQCRMSM-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.17
Rot. Bonds4

About 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide

4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide (PubChem CID 146562766) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide
PubChem CID146562766
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide
SMILESCc1cnc(N)c2c(-c3ccc(C(=O)Nc4ccccc4)cc3)nn(C3CCCNC3)c12
InChIInChI=1S/C25H26N6O/c1-16-14-28-24(26)21-22(30-31(23(16)21)20-8-5-13-27-15-20)17-9-11-18(12-10-17)25(32)29-19-6-3-2-4-7-19/h2-4,6-7,9-12,14,20,27H,5,8,13,15H2,1H3,(H2,26,28)(H,29,32)
InChIKeyALACOCDMQCRMSM-UHFFFAOYSA-N
XLogP4.17
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide?
The IUPAC name of 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide (CID 146562766) is 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide is Cc1cnc(N)c2c(-c3ccc(C(=O)Nc4ccccc4)cc3)nn(C3CCCNC3)c12.
What is the InChIKey of 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide?
The InChIKey is ALACOCDMQCRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-16-14-28-24(26)21-22(30-31(23(16)21)20-8-5-13-27-15-20)17-9-11-18(12-10-17)25(32)29-19-6-3-2-4-7-19/h2-4,6-7,9-12,14,20,27H,5,8,13,15H2,1H3,(H2,26,28)(H,29,32).
What are the key properties of 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide?
4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide has a molecular weight of 426.52 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7-methyl-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-phenylbenzamide is sourced from PubChem (CID 146562766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).