N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

C25H30N6O — CID 134325328

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C25H30N6O/c1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)
InChIKeyPKFKHVQZDYIXHW-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.64
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325328) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325328
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1
InChIInChI=1S/C25H30N6O/c1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32)
InChIKeyPKFKHVQZDYIXHW-UHFFFAOYSA-N
XLogP3.64
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325328) is N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is PKFKHVQZDYIXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-3-4-18(25(32)29-20-5-6-20)11-24(17)19-13-27-31(16-19)23-12-22(14-26-15-23)28-21-7-9-30(2)10-8-21/h3-4,11-16,20-21,28H,5-10H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 430.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).