N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide

C30H32F2N6O — CID 70652998

IUPACN-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
SMILESCCN(Cc1c(F)cccc1F)CC(C)(NC(=O)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1)C(C)C
InChIInChI=1S/C30H32F2N6O/c1-5-37(17-23-24(31)7-6-8-25(23)32)18-30(4,19(2)3)34-29(39)20-9-11-26-22(15-20)28(36-35-26)21-10-12-27-33-13-14-38(27)16-21/h6-16,19H,5,17-18H2,1-4H3,(H,34,39)(H,35,36)
InChIKeyYALIDVZJQVIODJ-UHFFFAOYSA-N
MW530.62 g/mol
LogP5.82
Rot. Bonds9

About N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide

N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide (PubChem CID 70652998) has the molecular formula C30H32F2N6O and a molecular weight of 530.62 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
PubChem CID70652998
Molecular FormulaC30H32F2N6O
Molecular Weight530.62 g/mol
Exact Mass530.26
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
SMILESCCN(Cc1c(F)cccc1F)CC(C)(NC(=O)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1)C(C)C
InChIInChI=1S/C30H32F2N6O/c1-5-37(17-23-24(31)7-6-8-25(23)32)18-30(4,19(2)3)34-29(39)20-9-11-26-22(15-20)28(36-35-26)21-10-12-27-33-13-14-38(27)16-21/h6-16,19H,5,17-18H2,1-4H3,(H,34,39)(H,35,36)
InChIKeyYALIDVZJQVIODJ-UHFFFAOYSA-N
XLogP5.82
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide (CID 70652998) is N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide is CCN(Cc1c(F)cccc1F)CC(C)(NC(=O)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1)C(C)C.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
The InChIKey is YALIDVZJQVIODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O/c1-5-37(17-23-24(31)7-6-8-25(23)32)18-30(4,19(2)3)34-29(39)20-9-11-26-22(15-20)28(36-35-26)21-10-12-27-33-13-14-38(27)16-21/h6-16,19H,5,17-18H2,1-4H3,(H,34,39)(H,35,36).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide has a molecular weight of 530.62 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl-ethylamino]-2,3-dimethylbutan-2-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).