2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol

C15H16ClN7O — CID 78044737

IUPAC2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
SMILESCn1cc(Nc2ncc(Cl)c(NC(CO)c3cccnc3)n2)cn1
InChIInChI=1S/C15H16ClN7O/c1-23-8-11(6-19-23)20-15-18-7-12(16)14(22-15)21-13(9-24)10-3-2-4-17-5-10/h2-8,13,24H,9H2,1H3,(H2,18,20,21,22)
InChIKeyCDIGVRQLUFGRRZ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.15
Rot. Bonds6

About 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol

2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol (PubChem CID 78044737) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
PubChem CID78044737
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC Name2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
SMILESCn1cc(Nc2ncc(Cl)c(NC(CO)c3cccnc3)n2)cn1
InChIInChI=1S/C15H16ClN7O/c1-23-8-11(6-19-23)20-15-18-7-12(16)14(22-15)21-13(9-24)10-3-2-4-17-5-10/h2-8,13,24H,9H2,1H3,(H2,18,20,21,22)
InChIKeyCDIGVRQLUFGRRZ-UHFFFAOYSA-N
XLogP2.15
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol?
The IUPAC name of 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol (CID 78044737) is 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol.
What is the SMILES notation for 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol?
The canonical SMILES for 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol is Cn1cc(Nc2ncc(Cl)c(NC(CO)c3cccnc3)n2)cn1.
What is the InChIKey of 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol?
The InChIKey is CDIGVRQLUFGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c1-23-8-11(6-19-23)20-15-18-7-12(16)14(22-15)21-13(9-24)10-3-2-4-17-5-10/h2-8,13,24H,9H2,1H3,(H2,18,20,21,22).
What are the key properties of 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol?
2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol has a molecular weight of 345.79 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol is sourced from PubChem (CID 78044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).