(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

C27H28N6O4 — CID 67494352

IUPAC(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1
InChIInChI=1S/C27H28N6O4/c1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17/h2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3/t16-/m1/s1
InChIKeyJQWOINLJGKKPIK-MRXNPFEDSA-N
MW500.56 g/mol
LogP2.30
Rot. Bonds6

About (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 67494352) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID67494352
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC Name(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1
InChIInChI=1S/C27H28N6O4/c1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17/h2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3/t16-/m1/s1
InChIKeyJQWOINLJGKKPIK-MRXNPFEDSA-N
XLogP2.30
TPSA146.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one (CID 67494352) is (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1.
What is the InChIKey of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is JQWOINLJGKKPIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17/h2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 500.56 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 67494352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).