2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol

C16H19N5O — CID 56899782

IUPAC2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol
SMILESCC(C)c1cc(NCC(O)c2ccncc2)n2nccc2n1
InChIInChI=1S/C16H19N5O/c1-11(2)13-9-16(21-15(20-13)5-8-19-21)18-10-14(22)12-3-6-17-7-4-12/h3-9,11,14,18,22H,10H2,1-2H3
InChIKeyDDVWMOAZIJVVIG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.39
Rot. Bonds5

About 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol

2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol (PubChem CID 56899782) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol
PubChem CID56899782
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol
SMILESCC(C)c1cc(NCC(O)c2ccncc2)n2nccc2n1
InChIInChI=1S/C16H19N5O/c1-11(2)13-9-16(21-15(20-13)5-8-19-21)18-10-14(22)12-3-6-17-7-4-12/h3-9,11,14,18,22H,10H2,1-2H3
InChIKeyDDVWMOAZIJVVIG-UHFFFAOYSA-N
XLogP2.39
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol (CID 56899782) is 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol is CC(C)c1cc(NCC(O)c2ccncc2)n2nccc2n1.
What is the InChIKey of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol?
The InChIKey is DDVWMOAZIJVVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11(2)13-9-16(21-15(20-13)5-8-19-21)18-10-14(22)12-3-6-17-7-4-12/h3-9,11,14,18,22H,10H2,1-2H3.
What are the key properties of 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol?
2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol has a molecular weight of 297.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol is sourced from PubChem (CID 56899782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).