7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H29N5O3 — CID 146654375

IUPAC7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(-c2nn3c(c2C(N)=O)NCCC3C2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C22H29N5O3/c1-13-4-5-16(12-18(13)30-3)20-19(21(23)29)22-24-9-6-17(27(22)25-20)15-7-10-26(11-8-15)14(2)28/h4-5,12,15,17,24H,6-11H2,1-3H3,(H2,23,29)
InChIKeyGHWKEHSPXAEWIR-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.58
Rot. Bonds4

About 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146654375) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146654375
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(-c2nn3c(c2C(N)=O)NCCC3C2CCN(C(C)=O)CC2)ccc1C
InChIInChI=1S/C22H29N5O3/c1-13-4-5-16(12-18(13)30-3)20-19(21(23)29)22-24-9-6-17(27(22)25-20)15-7-10-26(11-8-15)14(2)28/h4-5,12,15,17,24H,6-11H2,1-3H3,(H2,23,29)
InChIKeyGHWKEHSPXAEWIR-UHFFFAOYSA-N
XLogP2.58
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146654375) is 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(-c2nn3c(c2C(N)=O)NCCC3C2CCN(C(C)=O)CC2)ccc1C.
What is the InChIKey of 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GHWKEHSPXAEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-13-4-5-16(12-18(13)30-3)20-19(21(23)29)22-24-9-6-17(27(22)25-20)15-7-10-26(11-8-15)14(2)28/h4-5,12,15,17,24H,6-11H2,1-3H3,(H2,23,29).
What are the key properties of 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146654375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).