N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide

C21H26F2N6O — CID 164532276

IUPACN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide
SMILESCN(C(=O)CCC(C)(F)F)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C21H26F2N6O/c1-20(2)7-5-13-15(10-20)27-28-17(13)19-25-14-9-12(11-24-18(14)26-19)29(4)16(30)6-8-21(3,22)23/h9,11H,5-8,10H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyMCDNZRBONMVZJD-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide

N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide (PubChem CID 164532276) has the molecular formula C21H26F2N6O and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide
PubChem CID164532276
Molecular FormulaC21H26F2N6O
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide
SMILESCN(C(=O)CCC(C)(F)F)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C21H26F2N6O/c1-20(2)7-5-13-15(10-20)27-28-17(13)19-25-14-9-12(11-24-18(14)26-19)29(4)16(30)6-8-21(3,22)23/h9,11H,5-8,10H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyMCDNZRBONMVZJD-UHFFFAOYSA-N
XLogP4.26
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide?
The IUPAC name of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide (CID 164532276) is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide.
What is the SMILES notation for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide?
The canonical SMILES for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide is CN(C(=O)CCC(C)(F)F)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1.
What is the InChIKey of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide?
The InChIKey is MCDNZRBONMVZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O/c1-20(2)7-5-13-15(10-20)27-28-17(13)19-25-14-9-12(11-24-18(14)26-19)29(4)16(30)6-8-21(3,22)23/h9,11H,5-8,10H2,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide?
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide has a molecular weight of 416.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4,4-difluoro-N-methylpentanamide is sourced from PubChem (CID 164532276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).