N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide

C24H29F2N7O2 — CID 146612385

About N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide

N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide (PubChem CID 146612385) has the molecular formula C24H29F2N7O2 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide
• PubChem CID: 146612385
• Molecular Formula: C24H29F2N7O2
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.24
• IUPAC Name: N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide
• SMILES: CN(C)CC1CN(C(=O)Nc2cnc3[nH]nc(N4CCC[C@@H]4c4cc(F)ccc4F)c3c2)CC1O
• InChI: InChI=1S/C24H29F2N7O2/c1-31(2)11-14-12-32(13-21(14)34)24(35)28-16-9-18-22(27-10-16)29-30-23(18)33-7-3-4-20(33)17-8-15(25)5-6-19(17)26/h5-6,8-10,14,20-21,34H,3-4,7,11-13H2,1-2H3,(H,28,35)(H,27,29,30)/t14?,20-,21?/m1/s1
• InChIKey: KAQAVZUSQABPKG-RDCFFDHZSA-N
• XLogP: 2.96
• TPSA: 100.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide?

The IUPAC name of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide (CID 146612385) is N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide.

What is the SMILES notation for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide?

The canonical SMILES for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide is CN(C)CC1CN(C(=O)Nc2cnc3[nH]nc(N4CCC[C@@H]4c4cc(F)ccc4F)c3c2)CC1O.

What is the InChIKey of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide?

The InChIKey is KAQAVZUSQABPKG-RDCFFDHZSA-N. The full InChI is InChI=1S/C24H29F2N7O2/c1-31(2)11-14-12-32(13-21(14)34)24(35)28-16-9-18-22(27-10-16)29-30-23(18)33-7-3-4-20(33)17-8-15(25)5-6-19(17)26/h5-6,8-10,14,20-21,34H,3-4,7,11-13H2,1-2H3,(H,28,35)(H,27,29,30)/t14?,20-,21?/m1/s1.

What are the key properties of N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide?

N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 146612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).