Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate

C₁₄H₁₈N₄O₃ — CID 126841562

About Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate

Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate (PubChem CID 126841562) has the molecular formula C₁₄H₁₈N₄O₃ and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate.

Molecular Properties

• Compound Name: Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
• PubChem CID: 126841562
• Molecular Formula: C₁₄H₁₈N₄O₃
• Molecular Weight: 290.32 g/mol
• Exact Mass: 290.14
• IUPAC Name: methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
• SMILES: COC(=O)N[C@H](C(=O)Nc1cnn2ccccc12)C(C)C
• InChI: InChI=1S/C14H18N4O3/c1-9(2)12(17-14(20)21-3)13(19)16-10-8-15-18-7-5-4-6-11(10)18/h4-9,12H,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1
• InChIKey: XSGUDECUPVBYKH-LBPRGKRZSA-N
• XLogP: 1.65
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?

The IUPAC name of Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate (CID 126841562) is methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate.

What is the SMILES notation for Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?

The canonical SMILES for Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)Nc1cnn2ccccc12)C(C)C.

What is the InChIKey of Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?

The InChIKey is XSGUDECUPVBYKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)12(17-14(20)21-3)13(19)16-10-8-15-18-7-5-4-6-11(10)18/h4-9,12H,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1.

What are the key properties of Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate?

Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate has a molecular weight of 290.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 126841562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126841562 — identifiers, structure, computed properties (public domain)

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