1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea

C21H23N5O — CID 11164323

IUPAC1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2c1cccc2N1CCCC1
InChIInChI=1S/C21H23N5O/c27-21(23-17-6-4-7-19-16(17)13-22-25-19)24-18-10-9-15-14(18)5-3-8-20(15)26-11-1-2-12-26/h3-8,13,18H,1-2,9-12H2,(H,22,25)(H2,23,24,27)
InChIKeyUOHCGMBECWOBEU-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.97
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea

1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 11164323) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID11164323
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2c1cccc2N1CCCC1
InChIInChI=1S/C21H23N5O/c27-21(23-17-6-4-7-19-16(17)13-22-25-19)24-18-10-9-15-14(18)5-3-8-20(15)26-11-1-2-12-26/h3-8,13,18H,1-2,9-12H2,(H,22,25)(H2,23,24,27)
InChIKeyUOHCGMBECWOBEU-UHFFFAOYSA-N
XLogP3.97
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea 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 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea (CID 11164323) is 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCc2c1cccc2N1CCCC1.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is UOHCGMBECWOBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(23-17-6-4-7-19-16(17)13-22-25-19)24-18-10-9-15-14(18)5-3-8-20(15)26-11-1-2-12-26/h3-8,13,18H,1-2,9-12H2,(H,22,25)(H2,23,24,27).
What are the key properties of 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea?
1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 361.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(4-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 11164323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).