N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide

C28H21F2N9OS — CID 176699133

About N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide (PubChem CID 176699133) has the molecular formula C28H21F2N9OS and a molecular weight of 569.60 g/mol. Its IUPAC name is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide
• PubChem CID: 176699133
• Molecular Formula: C28H21F2N9OS
• Molecular Weight: 569.60 g/mol
• Exact Mass: 569.16
• IUPAC Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide
• SMILES: Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(F)F)ns1
• InChI: InChI=1S/C28H21F2N9OS/c29-24(30)21-14-22(41-37-21)28(40)35-19-7-4-15-13-16(5-6-17(15)19)39-26(18-3-1-10-32-25(18)31)34-20-8-9-23(36-27(20)39)38-12-2-11-33-38/h1-3,5-6,8-14,19,24H,4,7H2,(H2,31,32)(H,35,40)/t19-/m0/s1
• InChIKey: OXDWAGZAXJDWND-IBGZPJMESA-N
• XLogP: 5.06
• TPSA: 129.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.60
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide?

The IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide (CID 176699133) is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide?

The canonical SMILES for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide is Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(F)F)ns1.

What is the InChIKey of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide?

The InChIKey is OXDWAGZAXJDWND-IBGZPJMESA-N. The full InChI is InChI=1S/C28H21F2N9OS/c29-24(30)21-14-22(41-37-21)28(40)35-19-7-4-15-13-16(5-6-17(15)19)39-26(18-3-1-10-32-25(18)31)34-20-8-9-23(36-27(20)39)38-12-2-11-33-38/h1-3,5-6,8-14,19,24H,4,7H2,(H2,31,32)(H,35,40)/t19-/m0/s1.

What are the key properties of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide?

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide has a molecular weight of 569.60 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-(difluoromethyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 176699133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).