(3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C28H25FN6O — CID 170977887

About (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone

(3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 170977887) has the molecular formula C28H25FN6O and a molecular weight of 480.55 g/mol. Its IUPAC name is (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 170977887
• Molecular Formula: C28H25FN6O
• Molecular Weight: 480.55 g/mol
• Exact Mass: 480.21
• IUPAC Name: (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1nn2ccccc2c1C1=CC=CC=CC1)N1CCC[C@H]1Cn1cc(-c2ccc(F)cn2)cn1
• InChI: InChI=1S/C28H25FN6O/c29-22-12-13-24(30-17-22)21-16-31-33(18-21)19-23-10-7-14-34(23)28(36)27-26(20-8-3-1-2-4-9-20)25-11-5-6-15-35(25)32-27/h1-6,8,11-13,15-18,23H,7,9-10,14,19H2/t23-/m0/s1
• InChIKey: CSADQQYFWUXJPE-QHCPKHFHSA-N
• XLogP: 4.94
• TPSA: 68.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.55
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 170977887) is (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone is O=C(c1nn2ccccc2c1C1=CC=CC=CC1)N1CCC[C@H]1Cn1cc(-c2ccc(F)cn2)cn1.

What is the InChIKey of (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is CSADQQYFWUXJPE-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H25FN6O/c29-22-12-13-24(30-17-22)21-16-31-33(18-21)19-23-10-7-14-34(23)28(36)27-26(20-8-3-1-2-4-9-20)25-11-5-6-15-35(25)32-27/h1-6,8,11-13,15-18,23H,7,9-10,14,19H2/t23-/m0/s1.

What are the key properties of (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

(3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 480.55 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclohepta-1,3,5-trien-1-ylpyrazolo[1,5-a]pyridin-2-yl)-[(2S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170977887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).