N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide

C24H30N6O4 — CID 51348476

IUPACN-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide
SMILESCC(=O)NC1CCN(c2cc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)nc3cc(C)nn23)CC1
InChIInChI=1S/C24H30N6O4/c1-15-12-21-26-20(27-23(33)17-4-6-18(7-5-17)24(3,34)14-31)13-22(30(21)28-15)29-10-8-19(9-11-29)25-16(2)32/h4-7,12-13,19,31,34H,8-11,14H2,1-3H3,(H,25,32)(H,26,27,33)/t24-/m0/s1
InChIKeyUOQGYSALRZAUCP-DEOSSOPVSA-N
MW466.54 g/mol
LogP1.59
Rot. Bonds6

About N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide

N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide (PubChem CID 51348476) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide
PubChem CID51348476
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide
SMILESCC(=O)NC1CCN(c2cc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)nc3cc(C)nn23)CC1
InChIInChI=1S/C24H30N6O4/c1-15-12-21-26-20(27-23(33)17-4-6-18(7-5-17)24(3,34)14-31)13-22(30(21)28-15)29-10-8-19(9-11-29)25-16(2)32/h4-7,12-13,19,31,34H,8-11,14H2,1-3H3,(H,25,32)(H,26,27,33)/t24-/m0/s1
InChIKeyUOQGYSALRZAUCP-DEOSSOPVSA-N
XLogP1.59
TPSA132.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
The IUPAC name of N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide (CID 51348476) is N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
The canonical SMILES for N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide is CC(=O)NC1CCN(c2cc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)nc3cc(C)nn23)CC1.
What is the InChIKey of N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
The InChIKey is UOQGYSALRZAUCP-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-15-12-21-26-20(27-23(33)17-4-6-18(7-5-17)24(3,34)14-31)13-22(30(21)28-15)29-10-8-19(9-11-29)25-16(2)32/h4-7,12-13,19,31,34H,8-11,14H2,1-3H3,(H,25,32)(H,26,27,33)/t24-/m0/s1.
What are the key properties of N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide?
N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-acetamidopiperidin-1-yl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-[(2R)-1,2-dihydroxypropan-2-yl]benzamide is sourced from PubChem (CID 51348476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).