(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide

C16H25N5O — CID 56903826

IUPAC(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
SMILESCCc1cc(N[C@@H](CC(C)C)C(N)=O)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5O/c1-6-12-8-14(19-13(15(17)22)7-9(2)3)21-16(18-12)10(4)11(5)20-21/h8-9,13,19H,6-7H2,1-5H3,(H2,17,22)/t13-/m0/s1
InChIKeyIRKCJHBTQDAPSN-ZDUSSCGKSA-N
MW303.41 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide

(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide (PubChem CID 56903826) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
PubChem CID56903826
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
SMILESCCc1cc(N[C@@H](CC(C)C)C(N)=O)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5O/c1-6-12-8-14(19-13(15(17)22)7-9(2)3)21-16(18-12)10(4)11(5)20-21/h8-9,13,19H,6-7H2,1-5H3,(H2,17,22)/t13-/m0/s1
InChIKeyIRKCJHBTQDAPSN-ZDUSSCGKSA-N
XLogP2.22
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 2999367
1-[4-butyl-6-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-2-carboxamide
CID 91800655
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 91800662
2-Tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 49830970
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 53568458
1-{2-[(5-Ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl}-2-imidazolidinone
CID 56885691
7-(4-Acetyl-1-piperazinyl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 56885843
N~2~-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-L-isoleucinamide
CID 56894580
N~2~-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-L-serinamide
CID 56903186
N~2~-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-L-serinamide
CID 56911356
N~2~-(5-isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-L-valinamide
CID 56917124
N~1~-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N~2~,N~2~-dimethylpentane-1,2-diamine
CID 70713175

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide (CID 56903826) is (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide is CCc1cc(N[C@@H](CC(C)C)C(N)=O)n2nc(C)c(C)c2n1.
What is the InChIKey of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
The InChIKey is IRKCJHBTQDAPSN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O/c1-6-12-8-14(19-13(15(17)22)7-9(2)3)21-16(18-12)10(4)11(5)20-21/h8-9,13,19H,6-7H2,1-5H3,(H2,17,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
(2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide has a molecular weight of 303.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide is sourced from PubChem (CID 56903826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).