[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone

C18H24N6O2 — CID 154788241

About [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone

[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone (PubChem CID 154788241) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone
• PubChem CID: 154788241
• Molecular Formula: C18H24N6O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.20
• IUPAC Name: [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone
• SMILES: CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccc(NC3CC3)nc2)C1
• InChI: InChI=1S/C18H24N6O2/c1-26-15-8-14(10-23-7-6-16(19)22-23)24(11-15)18(25)12-2-5-17(20-9-12)21-13-3-4-13/h2,5-7,9,13-15H,3-4,8,10-11H2,1H3,(H2,19,22)(H,20,21)/t14-,15-/m0/s1
• InChIKey: GCBCGHDQDJUUDQ-GJZGRUSLSA-N
• XLogP: 1.36
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone?

The IUPAC name of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone (CID 154788241) is [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone.

What is the SMILES notation for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone?

The canonical SMILES for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone is CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccc(NC3CC3)nc2)C1.

What is the InChIKey of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone?

The InChIKey is GCBCGHDQDJUUDQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-26-15-8-14(10-23-7-6-16(19)22-23)24(11-15)18(25)12-2-5-17(20-9-12)21-13-3-4-13/h2,5-7,9,13-15H,3-4,8,10-11H2,1H3,(H2,19,22)(H,20,21)/t14-,15-/m0/s1.

What are the key properties of [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone?

[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 154788241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).