1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea

C21H25N5O — CID 125443471

IUPAC1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea
SMILESCc1ccc2c(c1)c(CNC(=O)N(C)[C@H](c1ccccn1)C1CC1)nn2C
InChIInChI=1S/C21H25N5O/c1-14-7-10-19-16(12-14)18(24-26(19)3)13-23-21(27)25(2)20(15-8-9-15)17-6-4-5-11-22-17/h4-7,10-12,15,20H,8-9,13H2,1-3H3,(H,23,27)/t20-/m0/s1
InChIKeyAEWCQTXTLGDCAQ-FQEVSTJZSA-N
MW363.47 g/mol
LogP3.57
Rot. Bonds5

About 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea

1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea (PubChem CID 125443471) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea
PubChem CID125443471
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea
SMILESCc1ccc2c(c1)c(CNC(=O)N(C)[C@H](c1ccccn1)C1CC1)nn2C
InChIInChI=1S/C21H25N5O/c1-14-7-10-19-16(12-14)18(24-26(19)3)13-23-21(27)25(2)20(15-8-9-15)17-6-4-5-11-22-17/h4-7,10-12,15,20H,8-9,13H2,1-3H3,(H,23,27)/t20-/m0/s1
InChIKeyAEWCQTXTLGDCAQ-FQEVSTJZSA-N
XLogP3.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea (CID 125443471) is 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea is Cc1ccc2c(c1)c(CNC(=O)N(C)[C@H](c1ccccn1)C1CC1)nn2C.
What is the InChIKey of 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea?
The InChIKey is AEWCQTXTLGDCAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-7-10-19-16(12-14)18(24-26(19)3)13-23-21(27)25(2)20(15-8-9-15)17-6-4-5-11-22-17/h4-7,10-12,15,20H,8-9,13H2,1-3H3,(H,23,27)/t20-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea?
1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea has a molecular weight of 363.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(pyridin-2-yl)methyl]-3-[(1,5-dimethylindazol-3-yl)methyl]-1-methylurea is sourced from PubChem (CID 125443471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).