1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea

C16H21N5O2 — CID 97215300

IUPAC1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
SMILESCC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCN(C)C3=O)cc21
InChIInChI=1S/C16H21N5O2/c1-10(2)21-14-8-12(5-4-11(14)9-17-21)18-16(23)19-13-6-7-20(3)15(13)22/h4-5,8-10,13H,6-7H2,1-3H3,(H2,18,19,23)/t13-/m1/s1
InChIKeyRNALGEBLWADGEN-CYBMUJFWSA-N
MW315.38 g/mol
LogP1.97
Rot. Bonds3

About 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea

1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea (PubChem CID 97215300) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea.

Molecular Properties

Compound Name1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
PubChem CID97215300
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea
SMILESCC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCN(C)C3=O)cc21
InChIInChI=1S/C16H21N5O2/c1-10(2)21-14-8-12(5-4-11(14)9-17-21)18-16(23)19-13-6-7-20(3)15(13)22/h4-5,8-10,13H,6-7H2,1-3H3,(H2,18,19,23)/t13-/m1/s1
InChIKeyRNALGEBLWADGEN-CYBMUJFWSA-N
XLogP1.97
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea with MolForge

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Related Compounds

(2S)-2-(4-methylpiperazin-1-yl)-N-(1-propan-2-ylindazol-6-yl)propanamide
CID 97212842
4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258149
2-fluoro-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258332
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 71874830
5-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pyridine-3-carboxylic acid
CID 106258258
3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119756804
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725
(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
CID 120928646
4-amino-N-(1-propan-2-ylindazol-6-yl)butanamide
CID 119308053
1-amino-N-(1-propan-2-ylindazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 75495671
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416712
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea?
The IUPAC name of 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea (CID 97215300) is 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea.
What is the SMILES notation for 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea?
The canonical SMILES for 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea is CC(C)n1ncc2ccc(NC(=O)N[C@@H]3CCN(C)C3=O)cc21.
What is the InChIKey of 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea?
The InChIKey is RNALGEBLWADGEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)21-14-8-12(5-4-11(14)9-17-21)18-16(23)19-13-6-7-20(3)15(13)22/h4-5,8-10,13H,6-7H2,1-3H3,(H2,18,19,23)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea?
1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea has a molecular weight of 315.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylindazol-6-yl)urea is sourced from PubChem (CID 97215300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).