N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

C20H22N6O — CID 154616331

IUPACN-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCC(NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)C(C)(C)C
InChIInChI=1S/C20H22N6O/c1-11(20(2,3)4)22-19(27)18-23-15-9-13-14(10-16(15)24-18)25-26-17(13)12-5-7-21-8-6-12/h5-11,25-26H,1-4H3,(H,22,27)
InChIKeyVTPYTJFBOOEQTN-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.67
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide

N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (PubChem CID 154616331) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
PubChem CID154616331
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide
SMILESCC(NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)C(C)(C)C
InChIInChI=1S/C20H22N6O/c1-11(20(2,3)4)22-19(27)18-23-15-9-13-14(10-16(15)24-18)25-26-17(13)12-5-7-21-8-6-12/h5-11,25-26H,1-4H3,(H,22,27)
InChIKeyVTPYTJFBOOEQTN-UHFFFAOYSA-N
XLogP3.67
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide (CID 154616331) is N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is CC(NC(=O)c1nc2cc3[nH][nH]c(-c4ccncc4)c3cc2n1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
The InChIKey is VTPYTJFBOOEQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-11(20(2,3)4)22-19(27)18-23-15-9-13-14(10-16(15)24-18)25-26-17(13)12-5-7-21-8-6-12/h5-11,25-26H,1-4H3,(H,22,27).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide?
N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-1,2-dihydroimidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 154616331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).