(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one

C25H26N6O3 — CID 70215542

IUPAC(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C25H26N6O3/c1-14(32)21-22(16-7-9-30(10-8-16)25(34)15(2)33)29-24-19(13-28-31(24)23(21)26)18-11-17-5-3-4-6-20(17)27-12-18/h3-6,11-13,15-16,33H,7-10,26H2,1-2H3/t15-/m1/s1
InChIKeyWBQRCYJASWOXML-OAHLLOKOSA-N
MW458.52 g/mol
LogP2.82
Rot. Bonds4

About (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 70215542) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID70215542
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
SMILESCC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C25H26N6O3/c1-14(32)21-22(16-7-9-30(10-8-16)25(34)15(2)33)29-24-19(13-28-31(24)23(21)26)18-11-17-5-3-4-6-20(17)27-12-18/h3-6,11-13,15-16,33H,7-10,26H2,1-2H3/t15-/m1/s1
InChIKeyWBQRCYJASWOXML-OAHLLOKOSA-N
XLogP2.82
TPSA126.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one (CID 70215542) is (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one is CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.
What is the InChIKey of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is WBQRCYJASWOXML-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-14(32)21-22(16-7-9-30(10-8-16)25(34)15(2)33)29-24-19(13-28-31(24)23(21)26)18-11-17-5-3-4-6-20(17)27-12-18/h3-6,11-13,15-16,33H,7-10,26H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 458.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 70215542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).