(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one

C33H37N7O5 — CID 70217194

IUPAC(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
SMILESCC(=O)c1c(C2CCN(C(=O)C3(O)CCN(C(=O)[C@@H](C)O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C33H37N7O5/c1-20(41)27-28(23-10-14-39(15-11-23)32(44)33(45)12-16-38(17-13-33)31(43)21(2)42)37-30-25(19-36-40(30)29(27)34)24-8-9-26(35-18-24)22-6-4-3-5-7-22/h3-9,18-19,21,23,42,45H,10-17,34H2,1-2H3/t21-/m1/s1
InChIKeyOMZBFAIVAVNRSK-OAQYLSRUSA-N
MW611.70 g/mol
LogP2.68
Rot. Bonds6

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

(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 70217194) has the molecular formula C33H37N7O5 and a molecular weight of 611.70 g/mol. Its IUPAC name is (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID70217194
Molecular FormulaC33H37N7O5
Molecular Weight611.70 g/mol
Exact Mass611.29
IUPAC Name(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
SMILESCC(=O)c1c(C2CCN(C(=O)C3(O)CCN(C(=O)[C@@H](C)O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
InChIInChI=1S/C33H37N7O5/c1-20(41)27-28(23-10-14-39(15-11-23)32(44)33(45)12-16-38(17-13-33)31(43)21(2)42)37-30-25(19-36-40(30)29(27)34)24-8-9-26(35-18-24)22-6-4-3-5-7-22/h3-9,18-19,21,23,42,45H,10-17,34H2,1-2H3/t21-/m1/s1
InChIKeyOMZBFAIVAVNRSK-OAQYLSRUSA-N
XLogP2.68
TPSA167.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.70
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one (CID 70217194) is (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one is CC(=O)c1c(C2CCN(C(=O)C3(O)CCN(C(=O)[C@@H](C)O)CC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.
What is the InChIKey of (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is OMZBFAIVAVNRSK-OAQYLSRUSA-N. The full InChI is InChI=1S/C33H37N7O5/c1-20(41)27-28(23-10-14-39(15-11-23)32(44)33(45)12-16-38(17-13-33)31(43)21(2)42)37-30-25(19-36-40(30)29(27)34)24-8-9-26(35-18-24)22-6-4-3-5-7-22/h3-9,18-19,21,23,42,45H,10-17,34H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 611.70 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 70217194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).