N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide

C26H30FN7O2 — CID 167501548

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide (PubChem CID 167501548) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide.

Molecular Properties

• Compound Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide
• PubChem CID: 167501548
• Molecular Formula: C26H30FN7O2
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.24
• IUPAC Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide
• SMILES: COC1CC(N[C@@H]2CCN(c3ccc(C(=O)Nc4cc(F)c5nc(C)cn5c4)c4nn(C)cc34)C2)C1
• InChI: InChI=1S/C26H30FN7O2/c1-15-11-34-13-18(10-22(27)25(34)28-15)30-26(35)20-4-5-23(21-14-32(2)31-24(20)21)33-7-6-16(12-33)29-17-8-19(9-17)36-3/h4-5,10-11,13-14,16-17,19,29H,6-9,12H2,1-3H3,(H,30,35)/t16-,17?,19?/m1/s1
• InChIKey: ZHOPMRNWISLDJT-LRYGQEGESA-N
• XLogP: 3.27
• TPSA: 88.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide?

The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide (CID 167501548) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide.

What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide?

The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide is COC1CC(N[C@@H]2CCN(c3ccc(C(=O)Nc4cc(F)c5nc(C)cn5c4)c4nn(C)cc34)C2)C1.

What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide?

The InChIKey is ZHOPMRNWISLDJT-LRYGQEGESA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-15-11-34-13-18(10-22(27)25(34)28-15)30-26(35)20-4-5-23(21-14-32(2)31-24(20)21)33-7-6-16(12-33)29-17-8-19(9-17)36-3/h4-5,10-11,13-14,16-17,19,29H,6-9,12H2,1-3H3,(H,30,35)/t16-,17?,19?/m1/s1.

What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide?

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide is sourced from PubChem (CID 167501548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).