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

C25H28FN7O — CID 167502110

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](NC5CCC5)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C25H28FN7O/c1-15-11-33-13-18(10-21(26)24(33)27-15)29-25(34)19-6-7-22(20-14-31(2)30-23(19)20)32-9-8-17(12-32)28-16-4-3-5-16/h6-7,10-11,13-14,16-17,28H,3-5,8-9,12H2,1-2H3,(H,29,34)/t17-/m1/s1
InChIKeyIUFGKWSSDZYJLI-QGZVFWFLSA-N
MW461.55 g/mol
LogP3.64
Rot. Bonds5

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

4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (PubChem CID 167502110) has the molecular formula C25H28FN7O and a molecular weight of 461.55 g/mol. Its IUPAC name is 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
PubChem CID167502110
Molecular FormulaC25H28FN7O
Molecular Weight461.55 g/mol
Exact Mass461.23
IUPAC Name4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](NC5CCC5)C4)c4cn(C)nc34)cc(F)c2n1
InChIInChI=1S/C25H28FN7O/c1-15-11-33-13-18(10-21(26)24(33)27-15)29-25(34)19-6-7-22(20-14-31(2)30-23(19)20)32-9-8-17(12-32)28-16-4-3-5-16/h6-7,10-11,13-14,16-17,28H,3-5,8-9,12H2,1-2H3,(H,29,34)/t17-/m1/s1
InChIKeyIUFGKWSSDZYJLI-QGZVFWFLSA-N
XLogP3.64
TPSA79.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The IUPAC name of 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide (CID 167502110) is 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The canonical SMILES for 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CC[C@@H](NC5CCC5)C4)c4cn(C)nc34)cc(F)c2n1.
What is the InChIKey of 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
The InChIKey is IUFGKWSSDZYJLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28FN7O/c1-15-11-33-13-18(10-21(26)24(33)27-15)29-25(34)19-6-7-22(20-14-31(2)30-23(19)20)32-9-8-17(12-32)28-16-4-3-5-16/h6-7,10-11,13-14,16-17,28H,3-5,8-9,12H2,1-2H3,(H,29,34)/t17-/m1/s1.
What are the key properties of 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide?
4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide is sourced from PubChem (CID 167502110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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