N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide

C19H24N4O4 — CID 146473655

IUPACN-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)O[C@](C)(CO)C3)n1
InChIInChI=1S/C19H24N4O4/c1-19(12-24)11-13-9-15(20-18(25)14-3-4-22(2)21-14)16(10-17(13)27-19)23-5-7-26-8-6-23/h3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25)/t19-/m0/s1
InChIKeyJMINZOBVPQSGFH-IBGZPJMESA-N
MW372.43 g/mol
LogP1.19
Rot. Bonds4

About N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide

N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 146473655) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide
PubChem CID146473655
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)O[C@](C)(CO)C3)n1
InChIInChI=1S/C19H24N4O4/c1-19(12-24)11-13-9-15(20-18(25)14-3-4-22(2)21-14)16(10-17(13)27-19)23-5-7-26-8-6-23/h3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25)/t19-/m0/s1
InChIKeyJMINZOBVPQSGFH-IBGZPJMESA-N
XLogP1.19
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-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-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide (CID 146473655) is N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cc3c(cc2N2CCOCC2)O[C@](C)(CO)C3)n1.
What is the InChIKey of N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is JMINZOBVPQSGFH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O4/c1-19(12-24)11-13-9-15(20-18(25)14-3-4-22(2)21-14)16(10-17(13)27-19)23-5-7-26-8-6-23/h3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide?
N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146473655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).