1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

C17H21N7O — CID 99632776

IUPAC1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(C)n1cc2cc(NC(=O)N[C@@H]3CCc4ncnn4C3)ccc2n1
InChIInChI=1S/C17H21N7O/c1-11(2)23-8-12-7-13(3-5-15(12)22-23)20-17(25)21-14-4-6-16-18-10-19-24(16)9-14/h3,5,7-8,10-11,14H,4,6,9H2,1-2H3,(H2,20,21,25)/t14-/m1/s1
InChIKeyJGOQIEVMNPTFFZ-CQSZACIVSA-N
MW339.40 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea

1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 99632776) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID99632776
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(C)n1cc2cc(NC(=O)N[C@@H]3CCc4ncnn4C3)ccc2n1
InChIInChI=1S/C17H21N7O/c1-11(2)23-8-12-7-13(3-5-15(12)22-23)20-17(25)21-14-4-6-16-18-10-19-24(16)9-14/h3,5,7-8,10-11,14H,4,6,9H2,1-2H3,(H2,20,21,25)/t14-/m1/s1
InChIKeyJGOQIEVMNPTFFZ-CQSZACIVSA-N
XLogP2.35
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 99632776) is 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is CC(C)n1cc2cc(NC(=O)N[C@@H]3CCc4ncnn4C3)ccc2n1.
What is the InChIKey of 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is JGOQIEVMNPTFFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11(2)23-8-12-7-13(3-5-15(12)22-23)20-17(25)21-14-4-6-16-18-10-19-24(16)9-14/h3,5,7-8,10-11,14H,4,6,9H2,1-2H3,(H2,20,21,25)/t14-/m1/s1.
What are the key properties of 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 339.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylindazol-5-yl)-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 99632776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).