1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea

C18H18N8O2 — CID 150347210

IUPAC1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1
InChIInChI=1S/C18H18N8O2/c1-12(10-27)25-11-19-23-17(25)14-6-4-7-15(20-14)21-18(28)22-16-9-13-5-2-3-8-26(13)24-16/h2-9,11-12,27H,10H2,1H3,(H2,20,21,22,24,28)/t12-/m1/s1
InChIKeyGSYUZRLLPWNNAL-GFCCVEGCSA-N
MW378.40 g/mol
LogP2.19
Rot. Bonds5

About 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea

1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea (PubChem CID 150347210) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea.

Molecular Properties

Compound Name1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea
PubChem CID150347210
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1
InChIInChI=1S/C18H18N8O2/c1-12(10-27)25-11-19-23-17(25)14-6-4-7-15(20-14)21-18(28)22-16-9-13-5-2-3-8-26(13)24-16/h2-9,11-12,27H,10H2,1H3,(H2,20,21,22,24,28)/t12-/m1/s1
InChIKeyGSYUZRLLPWNNAL-GFCCVEGCSA-N
XLogP2.19
TPSA122.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea?
The IUPAC name of 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea (CID 150347210) is 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea.
What is the SMILES notation for 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea?
The canonical SMILES for 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea is C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1.
What is the InChIKey of 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea?
The InChIKey is GSYUZRLLPWNNAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-12(10-27)25-11-19-23-17(25)14-6-4-7-15(20-14)21-18(28)22-16-9-13-5-2-3-8-26(13)24-16/h2-9,11-12,27H,10H2,1H3,(H2,20,21,22,24,28)/t12-/m1/s1.
What are the key properties of 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea?
1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea has a molecular weight of 378.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea is sourced from PubChem (CID 150347210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).