N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25N5O3 — CID 97260290

IUPACN-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)c2n1
InChIInChI=1S/C22H25N5O3/c1-13-10-14(2)27-20(23-13)19(15(3)25-27)21(29)24-17-7-4-6-16(11-17)22(30)26-9-5-8-18(28)12-26/h4,6-7,10-11,18,28H,5,8-9,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyCYZJINXWNCGECJ-SFHVURJKSA-N
MW407.47 g/mol
LogP2.50
Rot. Bonds3

About N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 97260290) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID97260290
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)c2n1
InChIInChI=1S/C22H25N5O3/c1-13-10-14(2)27-20(23-13)19(15(3)25-27)21(29)24-17-7-4-6-16(11-17)22(30)26-9-5-8-18(28)12-26/h4,6-7,10-11,18,28H,5,8-9,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyCYZJINXWNCGECJ-SFHVURJKSA-N
XLogP2.50
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methyl-2-(4-methylimidazol-1-yl)propanamide
CID 146138026
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
4-[1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72904029
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]-1-propylindole-2-carboxamide
CID 126827132
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
1-[3-[(4-fluorobenzoyl)amino]benzoyl]piperidine-3-carboxylic acid
CID 119167379
N-[3-[(3S)-3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 97260286
N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-(4-methoxyphenyl)butanamide
CID 97260298
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 97260290) is N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)Nc3cccc(C(=O)N4CCC[C@H](O)C4)c3)c2n1.
What is the InChIKey of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CYZJINXWNCGECJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-10-14(2)27-20(23-13)19(15(3)25-27)21(29)24-17-7-4-6-16(11-17)22(30)26-9-5-8-18(28)12-26/h4,6-7,10-11,18,28H,5,8-9,12H2,1-3H3,(H,24,29)/t18-/m0/s1.
What are the key properties of N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 97260290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).