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

C28H34N6O2 — CID 134325367

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC4)CC3)c2)c1
InChIInChI=1S/C28H34N6O2/c1-19-2-3-20(28(35)32-22-4-5-22)12-27(19)21-14-30-34(17-21)26-13-24(15-29-16-26)31-23-6-9-33(10-7-23)25-8-11-36-18-25/h2-3,12-17,22-23,25,31H,4-11,18H2,1H3,(H,32,35)
InChIKeyJFFHQVWSGZEVIU-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.80
Rot. Bonds7

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

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325367) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325367
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC4)CC3)c2)c1
InChIInChI=1S/C28H34N6O2/c1-19-2-3-20(28(35)32-22-4-5-22)12-27(19)21-14-30-34(17-21)26-13-24(15-29-16-26)31-23-6-9-33(10-7-23)25-8-11-36-18-25/h2-3,12-17,22-23,25,31H,4-11,18H2,1H3,(H,32,35)
InChIKeyJFFHQVWSGZEVIU-UHFFFAOYSA-N
XLogP3.80
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325367) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC4)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is JFFHQVWSGZEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-19-2-3-20(28(35)32-22-4-5-22)12-27(19)21-14-30-34(17-21)26-13-24(15-29-16-26)31-23-6-9-33(10-7-23)25-8-11-36-18-25/h2-3,12-17,22-23,25,31H,4-11,18H2,1H3,(H,32,35).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 486.62 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).