1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

C33H32N10O — CID 177272568

About 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 177272568) has the molecular formula C33H32N10O and a molecular weight of 584.69 g/mol. Its IUPAC name is 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
• PubChem CID: 177272568
• Molecular Formula: C33H32N10O
• Molecular Weight: 584.69 g/mol
• Exact Mass: 584.28
• IUPAC Name: 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
• SMILES: N#CC1(C(=O)N2CCC(N[C@H]3CCc4cc(-n5c(-c6cccnc6N)nc6ccc(-n7cccn7)nc65)ccc43)CC2)CC1
• InChI: InChI=1S/C33H32N10O/c34-20-33(12-13-33)32(44)41-17-10-22(11-18-41)38-26-7-4-21-19-23(5-6-24(21)26)43-30(25-3-1-14-36-29(25)35)39-27-8-9-28(40-31(27)43)42-16-2-15-37-42/h1-3,5-6,8-9,14-16,19,22,26,38H,4,7,10-13,17-18H2,(H2,35,36)/t26-/m0/s1
• InChIKey: PUAJANJXBMZPNK-SANMLTNESA-N
• XLogP: 4.12
• TPSA: 143.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.69
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

The IUPAC name of 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 177272568) is 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

What is the SMILES notation for 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

The canonical SMILES for 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCC(N[C@H]3CCc4cc(-n5c(-c6cccnc6N)nc6ccc(-n7cccn7)nc65)ccc43)CC2)CC1.

What is the InChIKey of 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

The InChIKey is PUAJANJXBMZPNK-SANMLTNESA-N. The full InChI is InChI=1S/C33H32N10O/c34-20-33(12-13-33)32(44)41-17-10-22(11-18-41)38-26-7-4-21-19-23(5-6-24(21)26)43-30(25-3-1-14-36-29(25)35)39-27-8-9-28(40-31(27)43)42-16-2-15-37-42/h1-3,5-6,8-9,14-16,19,22,26,38H,4,7,10-13,17-18H2,(H2,35,36)/t26-/m0/s1.

What are the key properties of 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?

1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 584.69 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 177272568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).