cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C36H40FN9O — CID 176699298

About cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176699298) has the molecular formula C36H40FN9O and a molecular weight of 633.78 g/mol. Its IUPAC name is cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176699298
• Molecular Formula: C36H40FN9O
• Molecular Weight: 633.78 g/mol
• Exact Mass: 633.33
• IUPAC Name: cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CNC1CCN(C(=O)C2CC2)CC1.Nc1ncccc1-c1nc2ccc(-n3ccc(C4CC4)n3)nc2n1-c1ccc2c(c1)CC(F)C2
• InChI: InChI=1S/C26H22FN7.C10H18N2O/c27-18-12-16-5-6-19(14-17(16)13-18)34-25(20-2-1-10-29-24(20)28)30-22-7-8-23(31-26(22)34)33-11-9-21(32-33)15-3-4-15;1-11-9-4-6-12(7-5-9)10(13)8-2-3-8/h1-2,5-11,14-15,18H,3-4,12-13H2,(H2,28,29);8-9,11H,2-7H2,1H3
• InChIKey: YHJJJBLQAHLFQM-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 119.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.78
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176699298) is cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CNC1CCN(C(=O)C2CC2)CC1.Nc1ncccc1-c1nc2ccc(-n3ccc(C4CC4)n3)nc2n1-c1ccc2c(c1)CC(F)C2.

What is the InChIKey of cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is YHJJJBLQAHLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7.C10H18N2O/c27-18-12-16-5-6-19(14-17(16)13-18)34-25(20-2-1-10-29-24(20)28)30-22-7-8-23(31-26(22)34)33-11-9-21(32-33)15-3-4-15;1-11-9-4-6-12(7-5-9)10(13)8-2-3-8/h1-2,5-11,14-15,18H,3-4,12-13H2,(H2,28,29);8-9,11H,2-7H2,1H3.

What are the key properties of cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 633.78 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone;3-[5-(3-cyclopropylpyrazol-1-yl)-3-(2-fluoro-2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176699298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).