N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C25H32N6O4 — CID 162362435

IUPACN-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCOCc1onc(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C25H32N6O4/c1-16-22(20(15-34-3)35-30-16)18-10-11-21(26-14-18)28-25(33)23(17-8-6-4-5-7-9-17)29-24(32)19-12-13-27-31(19)2/h10-14,17,23H,4-9,15H2,1-3H3,(H,29,32)(H,26,28,33)/t23-/m0/s1
InChIKeyQFRCJOYAHCGFTF-QHCPKHFHSA-N
MW480.57 g/mol
LogP3.63
Rot. Bonds8

About N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362435) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362435
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC NameN-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCOCc1onc(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C25H32N6O4/c1-16-22(20(15-34-3)35-30-16)18-10-11-21(26-14-18)28-25(33)23(17-8-6-4-5-7-9-17)29-24(32)19-12-13-27-31(19)2/h10-14,17,23H,4-9,15H2,1-3H3,(H,29,32)(H,26,28,33)/t23-/m0/s1
InChIKeyQFRCJOYAHCGFTF-QHCPKHFHSA-N
XLogP3.63
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362435) is N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is COCc1onc(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C)C2CCCCCC2)nc1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is QFRCJOYAHCGFTF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-16-22(20(15-34-3)35-30-16)18-10-11-21(26-14-18)28-25(33)23(17-8-6-4-5-7-9-17)29-24(32)19-12-13-27-31(19)2/h10-14,17,23H,4-9,15H2,1-3H3,(H,29,32)(H,26,28,33)/t23-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-[[5-[5-(methoxymethyl)-3-methyl-1,2-oxazol-4-yl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).