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

C30H38N6O2 — CID 134325445

IUPACN-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4C)CC3)c2)c1
InChIInChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2/h3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37)
InChIKeyRLJKWSDUDCQFDB-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.44
Rot. Bonds7

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

N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325445) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
PubChem CID134325445
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4C)CC3)c2)c1
InChIInChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2/h3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37)
InChIKeyRLJKWSDUDCQFDB-UHFFFAOYSA-N
XLogP4.44
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.44
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-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325445) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-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-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOCC4C)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is RLJKWSDUDCQFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2/c1-20-3-4-22(30(37)34-24-5-6-24)13-28(20)23-15-32-36(18-23)27-14-26(16-31-17-27)33-25-7-10-35(11-8-25)29-9-12-38-19-21(29)2/h3-4,13-18,21,24-25,29,33H,5-12,19H2,1-2H3,(H,34,37).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 514.67 g/mol, XLogP of 4.44, 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-(3-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).