N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine

C26H23N7S — CID 145308793

About N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine

N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine (PubChem CID 145308793) has the molecular formula C26H23N7S and a molecular weight of 465.59 g/mol. Its IUPAC name is N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine
• PubChem CID: 145308793
• Molecular Formula: C26H23N7S
• Molecular Weight: 465.59 g/mol
• Exact Mass: 465.17
• IUPAC Name: N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(-c5ccsc5)cncc4[nH]2)=CNN3)c1
• InChI: InChI=1S/C26H23N7S/c1-15(2)30-19-7-18(9-27-10-19)16-3-4-23-20(8-16)22(12-29-33-23)26-31-24-13-28-11-21(25(24)32-26)17-5-6-34-14-17/h3-15,29-30,33H,1-2H3,(H,31,32)
• InChIKey: RIDOKCFFXAHUBI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 90.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.59
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine?

The IUPAC name of N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine (CID 145308793) is N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine.

What is the SMILES notation for N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine?

The canonical SMILES for N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2ccc3c(c2)C(c2nc4c(-c5ccsc5)cncc4[nH]2)=CNN3)c1.

What is the InChIKey of N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine?

The InChIKey is RIDOKCFFXAHUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7S/c1-15(2)30-19-7-18(9-27-10-19)16-3-4-23-20(8-16)22(12-29-33-23)26-31-24-13-28-11-21(25(24)32-26)17-5-6-34-14-17/h3-15,29-30,33H,1-2H3,(H,31,32).

What are the key properties of N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine?

N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine has a molecular weight of 465.59 g/mol, XLogP of 5.89, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-5-[4-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydrocinnolin-6-yl]pyridin-3-amine is sourced from PubChem (CID 145308793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).