N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide

C26H31N5O4 — CID 46934733

IUPACN-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide
SMILESCNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccn(C)n3)c2)o1)C1CCCCC1
InChIInChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)29-25(33)22-12-11-21(35-22)19-10-6-7-17(15-19)16-28-24(32)20-13-14-31(2)30-20/h6-7,10-15,18,23H,3-5,8-9,16H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)/t23-/m1/s1
InChIKeyDZRVTYVYQGUGAM-HSZRJFAPSA-N
MW477.57 g/mol
LogP3.03
Rot. Bonds8

About N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide

N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 46934733) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide
PubChem CID46934733
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide
SMILESCNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccn(C)n3)c2)o1)C1CCCCC1
InChIInChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)29-25(33)22-12-11-21(35-22)19-10-6-7-17(15-19)16-28-24(32)20-13-14-31(2)30-20/h6-7,10-15,18,23H,3-5,8-9,16H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)/t23-/m1/s1
InChIKeyDZRVTYVYQGUGAM-HSZRJFAPSA-N
XLogP3.03
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-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-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide (CID 46934733) is N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide is CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccn(C)n3)c2)o1)C1CCCCC1.
What is the InChIKey of N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is DZRVTYVYQGUGAM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-27-26(34)23(18-8-4-3-5-9-18)29-25(33)22-12-11-21(35-22)19-10-6-7-17(15-19)16-28-24(32)20-13-14-31(2)30-20/h6-7,10-15,18,23H,3-5,8-9,16H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)/t23-/m1/s1.
What are the key properties of N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide?
N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46934733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).