4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile

C29H33N7O — CID 24987921

About 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile

4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 24987921) has the molecular formula C29H33N7O and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile
• PubChem CID: 24987921
• Molecular Formula: C29H33N7O
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.27
• IUPAC Name: 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile
• SMILES: CCc1cccn2c(-c3nc(NC(C)c4ccc([C@@H](O)C5CCCN(C)C5)cc4)ncc3C#N)cnc12
• InChI: InChI=1S/C29H33N7O/c1-4-20-7-6-14-36-25(17-31-28(20)36)26-24(15-30)16-32-29(34-26)33-19(2)21-9-11-22(12-10-21)27(37)23-8-5-13-35(3)18-23/h6-7,9-12,14,16-17,19,23,27,37H,4-5,8,13,18H2,1-3H3,(H,32,33,34)/t19?,23?,27-/m1/s1
• InChIKey: CNADNBCGWYAKLM-RDMIVRQXSA-N
• XLogP: 4.77
• TPSA: 102.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?

The IUPAC name of 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile (CID 24987921) is 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile.

What is the SMILES notation for 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?

The canonical SMILES for 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile is CCc1cccn2c(-c3nc(NC(C)c4ccc([C@@H](O)C5CCCN(C)C5)cc4)ncc3C#N)cnc12.

What is the InChIKey of 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?

The InChIKey is CNADNBCGWYAKLM-RDMIVRQXSA-N. The full InChI is InChI=1S/C29H33N7O/c1-4-20-7-6-14-36-25(17-31-28(20)36)26-24(15-30)16-32-29(34-26)33-19(2)21-9-11-22(12-10-21)27(37)23-8-5-13-35(3)18-23/h6-7,9-12,14,16-17,19,23,27,37H,4-5,8,13,18H2,1-3H3,(H,32,33,34)/t19?,23?,27-/m1/s1.

What are the key properties of 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile?

4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 495.63 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(8-ethylimidazo[1,2-a]pyridin-3-yl)-2-[1-[4-[(S)-hydroxy-(1-methylpiperidin-3-yl)methyl]phenyl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 24987921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).