N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide

C25H32N4O — CID 90614165

IUPACN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H32N4O/c30-24(25-14-17-11-18(15-25)13-19(12-17)16-25)27-9-10-29-22-4-2-1-3-21(22)23(28-29)20-5-7-26-8-6-20/h5-8,17-19H,1-4,9-16H2,(H,27,30)
InChIKeyDAKBGSZZZHKIQE-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide

N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide (PubChem CID 90614165) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
PubChem CID90614165
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H32N4O/c30-24(25-14-17-11-18(15-25)13-19(12-17)16-25)27-9-10-29-22-4-2-1-3-21(22)23(28-29)20-5-7-26-8-6-20/h5-8,17-19H,1-4,9-16H2,(H,27,30)
InChIKeyDAKBGSZZZHKIQE-UHFFFAOYSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11698163
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(2-pyrazinyl)propanamide
CID 24792097
[1-Benzyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146597677
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
N-[2-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]ethyl]adamantane-1-carboxamide
CID 10667434
1-Adamantyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10836548
N-[6,6-dimethyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 24816965
adamantan-1-yl-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(2-pyridin-4-yl-ethylamino)-ethyl]-1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-5-yl}-methanone
CID 44432636
(S)-N-(4-amino-4-oxo-1-phenylbutan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440753
N-(2,2-diphenylethyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819700
N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
CID 44819701
N-(2-benzylphenyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
CID 44819874

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide (CID 90614165) is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide is O=C(NCCn1nc(-c2ccncc2)c2c1CCCC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is DAKBGSZZZHKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c30-24(25-14-17-11-18(15-25)13-19(12-17)16-25)27-9-10-29-22-4-2-1-3-21(22)23(28-29)20-5-7-26-8-6-20/h5-8,17-19H,1-4,9-16H2,(H,27,30).
What are the key properties of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide?
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 90614165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).