(2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide

C16H18N6O — CID 56884131

IUPAC(2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
SMILESCC(C)[C@H](Nc1cc(-c2ccncc2)nc2ccnn12)C(N)=O
InChIInChI=1S/C16H18N6O/c1-10(2)15(16(17)23)21-14-9-12(11-3-6-18-7-4-11)20-13-5-8-19-22(13)14/h3-10,15,21H,1-2H3,(H2,17,23)/t15-/m0/s1
InChIKeyAWPWZNNXRUZHRT-HNNXBMFYSA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds5

About (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide

(2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide (PubChem CID 56884131) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
PubChem CID56884131
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
SMILESCC(C)[C@H](Nc1cc(-c2ccncc2)nc2ccnn12)C(N)=O
InChIInChI=1S/C16H18N6O/c1-10(2)15(16(17)23)21-14-9-12(11-3-6-18-7-4-11)20-13-5-8-19-22(13)14/h3-10,15,21H,1-2H3,(H2,17,23)/t15-/m0/s1
InChIKeyAWPWZNNXRUZHRT-HNNXBMFYSA-N
XLogP1.71
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The IUPAC name of (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide (CID 56884131) is (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide is CC(C)[C@H](Nc1cc(-c2ccncc2)nc2ccnn12)C(N)=O.
What is the InChIKey of (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The InChIKey is AWPWZNNXRUZHRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10(2)15(16(17)23)21-14-9-12(11-3-6-18-7-4-11)20-13-5-8-19-22(13)14/h3-10,15,21H,1-2H3,(H2,17,23)/t15-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
(2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide has a molecular weight of 310.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide is sourced from PubChem (CID 56884131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).