(2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide

C15H23N5O — CID 56917124

IUPAC(2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
SMILESCc1cc2nc(C(C)C)cc(N[C@H](C(N)=O)C(C)C)n2n1
InChIInChI=1S/C15H23N5O/c1-8(2)11-7-13(18-14(9(3)4)15(16)21)20-12(17-11)6-10(5)19-20/h6-9,14,18H,1-5H3,(H2,16,21)/t14-/m0/s1
InChIKeyIGZFKGPGPGHGNY-AWEZNQCLSA-N
MW289.38 g/mol
LogP2.08
Rot. Bonds5

About (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide

(2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide (PubChem CID 56917124) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
PubChem CID56917124
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
SMILESCc1cc2nc(C(C)C)cc(N[C@H](C(N)=O)C(C)C)n2n1
InChIInChI=1S/C15H23N5O/c1-8(2)11-7-13(18-14(9(3)4)15(16)21)20-12(17-11)6-10(5)19-20/h6-9,14,18H,1-5H3,(H2,16,21)/t14-/m0/s1
InChIKeyIGZFKGPGPGHGNY-AWEZNQCLSA-N
XLogP2.08
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The IUPAC name of (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide (CID 56917124) is (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide is Cc1cc2nc(C(C)C)cc(N[C@H](C(N)=O)C(C)C)n2n1.
What is the InChIKey of (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The InChIKey is IGZFKGPGPGHGNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N5O/c1-8(2)11-7-13(18-14(9(3)4)15(16)21)20-12(17-11)6-10(5)19-20/h6-9,14,18H,1-5H3,(H2,16,21)/t14-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
(2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide has a molecular weight of 289.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide is sourced from PubChem (CID 56917124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).