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

C29H36N6O2 — CID 134325384

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4)CC3)c2)c1
InChIInChI=1S/C29H36N6O2/c1-20-2-3-21(29(36)33-23-4-5-23)14-28(20)22-16-31-35(19-22)27-15-25(17-30-18-27)32-24-6-10-34(11-7-24)26-8-12-37-13-9-26/h2-3,14-19,23-24,26,32H,4-13H2,1H3,(H,33,36)
InChIKeyXNMZKPXYCVRPST-UHFFFAOYSA-N
MW500.65 g/mol
LogP4.19
Rot. Bonds7

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

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325384) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325384
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4)CC3)c2)c1
InChIInChI=1S/C29H36N6O2/c1-20-2-3-21(29(36)33-23-4-5-23)14-28(20)22-16-31-35(19-22)27-15-25(17-30-18-27)32-24-6-10-34(11-7-24)26-8-12-37-13-9-26/h2-3,14-19,23-24,26,32H,4-13H2,1H3,(H,33,36)
InChIKeyXNMZKPXYCVRPST-UHFFFAOYSA-N
XLogP4.19
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.19
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-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325384) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-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-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is XNMZKPXYCVRPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-20-2-3-21(29(36)33-23-4-5-23)14-28(20)22-16-31-35(19-22)27-15-25(17-30-18-27)32-24-6-10-34(11-7-24)26-8-12-37-13-9-26/h2-3,14-19,23-24,26,32H,4-13H2,1H3,(H,33,36).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 500.65 g/mol, XLogP of 4.19, 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-(oxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).