1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C17H20N6O — CID 146106347

IUPAC1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCc1nc2ccccn2c1CNC(=O)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C17H20N6O/c1-11-15(23-7-3-2-4-16(23)20-11)10-18-17(24)21-13-5-6-14-12(8-13)9-19-22-14/h2-4,7,9,13H,5-6,8,10H2,1H3,(H,19,22)(H2,18,21,24)
InChIKeyPCQSAIBZHPZKAW-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.72
Rot. Bonds3

About 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 146106347) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID146106347
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCc1nc2ccccn2c1CNC(=O)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C17H20N6O/c1-11-15(23-7-3-2-4-16(23)20-11)10-18-17(24)21-13-5-6-14-12(8-13)9-19-22-14/h2-4,7,9,13H,5-6,8,10H2,1H3,(H,19,22)(H2,18,21,24)
InChIKeyPCQSAIBZHPZKAW-UHFFFAOYSA-N
XLogP1.72
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 146106347) is 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is Cc1nc2ccccn2c1CNC(=O)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is PCQSAIBZHPZKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-15(23-7-3-2-4-16(23)20-11)10-18-17(24)21-13-5-6-14-12(8-13)9-19-22-14/h2-4,7,9,13H,5-6,8,10H2,1H3,(H,19,22)(H2,18,21,24).
What are the key properties of 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 324.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 146106347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).