methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

C19H24N6O3 — CID 118104417

IUPACmethyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate
SMILESCOC(=O)N[C@H]1CCCC[C@H]1Nc1cc2c(c(-c3cnn(C)c3)n1)C(=O)NC2
InChIInChI=1S/C19H24N6O3/c1-25-10-12(9-21-25)17-16-11(8-20-18(16)26)7-15(24-17)22-13-5-3-4-6-14(13)23-19(27)28-2/h7,9-10,13-14H,3-6,8H2,1-2H3,(H,20,26)(H,22,24)(H,23,27)/t13-,14+/m1/s1
InChIKeyVTZVNQKKXRIPDM-KGLIPLIRSA-N
MW384.44 g/mol
LogP1.80
Rot. Bonds4

About methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate (PubChem CID 118104417) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate
PubChem CID118104417
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Namemethyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate
SMILESCOC(=O)N[C@H]1CCCC[C@H]1Nc1cc2c(c(-c3cnn(C)c3)n1)C(=O)NC2
InChIInChI=1S/C19H24N6O3/c1-25-10-12(9-21-25)17-16-11(8-20-18(16)26)7-15(24-17)22-13-5-3-4-6-14(13)23-19(27)28-2/h7,9-10,13-14H,3-6,8H2,1-2H3,(H,20,26)(H,22,24)(H,23,27)/t13-,14+/m1/s1
InChIKeyVTZVNQKKXRIPDM-KGLIPLIRSA-N
XLogP1.80
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate 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 methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate?
The IUPAC name of methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate (CID 118104417) is methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate is COC(=O)N[C@H]1CCCC[C@H]1Nc1cc2c(c(-c3cnn(C)c3)n1)C(=O)NC2.
What is the InChIKey of methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate?
The InChIKey is VTZVNQKKXRIPDM-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-25-10-12(9-21-25)17-16-11(8-20-18(16)26)7-15(24-17)22-13-5-3-4-6-14(13)23-19(27)28-2/h7,9-10,13-14H,3-6,8H2,1-2H3,(H,20,26)(H,22,24)(H,23,27)/t13-,14+/m1/s1.
What are the key properties of methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate?
methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate has a molecular weight of 384.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,2R)-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 118104417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).