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

C24H32N6O2 — CID 164532357

IUPACN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide
SMILESCCC1(C(=O)N(C)c2cnc3nc(-c4n[nH]c5c4CCC(C)(C)C5)[nH]c3c2)CCOCC1
InChIInChI=1S/C24H32N6O2/c1-5-24(8-10-32-11-9-24)22(31)30(4)15-12-17-20(25-14-15)27-21(26-17)19-16-6-7-23(2,3)13-18(16)28-29-19/h12,14H,5-11,13H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyDFYKNIQZWFNSHZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.03
Rot. Bonds4

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

N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide (PubChem CID 164532357) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 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-ethyl-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide
PubChem CID164532357
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide
SMILESCCC1(C(=O)N(C)c2cnc3nc(-c4n[nH]c5c4CCC(C)(C)C5)[nH]c3c2)CCOCC1
InChIInChI=1S/C24H32N6O2/c1-5-24(8-10-32-11-9-24)22(31)30(4)15-12-17-20(25-14-15)27-21(26-17)19-16-6-7-23(2,3)13-18(16)28-29-19/h12,14H,5-11,13H2,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyDFYKNIQZWFNSHZ-UHFFFAOYSA-N
XLogP4.03
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
CID 164532337
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-2-ethyl-N-methylbutanamide
CID 164532285
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide
CID 164532314
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide
CID 167127009
(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
CID 171431458
N-[2-[(4aS,5aR)-5,5-difluoro-5a-methyl-1,4,4a,6-tetrahydrocyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
CID 174225167
[6,6-dimethyl-3-[6-[methyl-[2-(oxan-4-yl)propanoyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-5,7-dihydro-4H-indazol-1-yl] thiohypofluorite
CID 164532294
2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-ethyl-3H-benzimidazole-5-carboxamide
CID 139966344
N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-2-cyclohexyl-N-methylacetamide
CID 171431412
4-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3H-benzimidazol-5-yl]morpholine
CID 139966343
N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
CID 164532284
(2S)-N-[2-[(8S)-9,9-difluoro-8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-dien-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
CID 167127036

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-ethyl-N-methyloxane-4-carboxamide?
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-ethyl-N-methyloxane-4-carboxamide (CID 164532357) is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide.
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-ethyl-N-methyloxane-4-carboxamide?
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-ethyl-N-methyloxane-4-carboxamide is CCC1(C(=O)N(C)c2cnc3nc(-c4n[nH]c5c4CCC(C)(C)C5)[nH]c3c2)CCOCC1.
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-ethyl-N-methyloxane-4-carboxamide?
The InChIKey is DFYKNIQZWFNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-5-24(8-10-32-11-9-24)22(31)30(4)15-12-17-20(25-14-15)27-21(26-17)19-16-6-7-23(2,3)13-18(16)28-29-19/h12,14H,5-11,13H2,1-4H3,(H,28,29)(H,25,26,27).
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-ethyl-N-methyloxane-4-carboxamide?
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-4-ethyl-N-methyloxane-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-ethyl-N-methyloxane-4-carboxamide is sourced from PubChem (CID 164532357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).