2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide

C28H31N5O5S — CID 146546303

IUPAC2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)ccn2)nc1C(=O)NC1CC(O)C1
InChIInChI=1S/C28H31N5O5S/c1-14-25(27(35)31-20-11-21(34)12-20)32-26(30-14)22-9-17(6-7-29-22)18-8-19-13-33(15(2)16-4-5-16)28(36)24(19)23(10-18)39(3,37)38/h6-10,15-16,20-21,34H,4-5,11-13H2,1-3H3,(H,30,32)(H,31,35)/t15-,20?,21?/m0/s1
InChIKeyWCUCUABZIISGRO-VUZGARFFSA-N
MW549.65 g/mol
LogP2.86
Rot. Bonds7

About 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide

2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 146546303) has the molecular formula C28H31N5O5S and a molecular weight of 549.65 g/mol. Its IUPAC name is 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID146546303
Molecular FormulaC28H31N5O5S
Molecular Weight549.65 g/mol
Exact Mass549.20
IUPAC Name2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)ccn2)nc1C(=O)NC1CC(O)C1
InChIInChI=1S/C28H31N5O5S/c1-14-25(27(35)31-20-11-21(34)12-20)32-26(30-14)22-9-17(6-7-29-22)18-8-19-13-33(15(2)16-4-5-16)28(36)24(19)23(10-18)39(3,37)38/h6-10,15-16,20-21,34H,4-5,11-13H2,1-3H3,(H,30,32)(H,31,35)/t15-,20?,21?/m0/s1
InChIKeyWCUCUABZIISGRO-VUZGARFFSA-N
XLogP2.86
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.65
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-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 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide (CID 146546303) is 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)ccn2)nc1C(=O)NC1CC(O)C1.
What is the InChIKey of 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is WCUCUABZIISGRO-VUZGARFFSA-N. The full InChI is InChI=1S/C28H31N5O5S/c1-14-25(27(35)31-20-11-21(34)12-20)32-26(30-14)22-9-17(6-7-29-22)18-8-19-13-33(15(2)16-4-5-16)28(36)24(19)23(10-18)39(3,37)38/h6-10,15-16,20-21,34H,4-5,11-13H2,1-3H3,(H,30,32)(H,31,35)/t15-,20?,21?/m0/s1.
What are the key properties of 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide?
2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 549.65 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 146546303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).