N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C25H24N6 — CID 145252682

IUPACN-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1)C(C)(C)C
InChIInChI=1S/C25H24N6/c1-15(25(2,3)4)28-19-9-18(12-27-13-19)16-5-6-21-20(10-16)24(31-30-21)22-11-17-7-8-26-14-23(17)29-22/h5-14,28-29H,1H2,2-4H3,(H,30,31)
InChIKeyIYOAMLZLQLDCGH-UHFFFAOYSA-N
MW408.51 g/mol
LogP6.14
Rot. Bonds4

About N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252682) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID145252682
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1)C(C)(C)C
InChIInChI=1S/C25H24N6/c1-15(25(2,3)4)28-19-9-18(12-27-13-19)16-5-6-21-20(10-16)24(31-30-21)22-11-17-7-8-26-14-23(17)29-22/h5-14,28-29H,1H2,2-4H3,(H,30,31)
InChIKeyIYOAMLZLQLDCGH-UHFFFAOYSA-N
XLogP6.14
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine with MolForge

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Related Compounds

N-(1-phenylethenyl)-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252257
N-[[5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137116508
2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137312769
N-(3-methylbut-1-en-2-yl)-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137087675
3,3-dimethyl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137038647
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[4-[3-fluoro-5-[[[methyl(dimethylidene)-λ6-sulfanyl]amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145253762
N-(3-methylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145248124
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088793
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145251196
N-hex-1-en-2-yl-5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252072
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
CID 137116432
2,2-dimethyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136643278

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145252682) is N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5ccncc5[nH]4)c3c2)c1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is IYOAMLZLQLDCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-15(25(2,3)4)28-19-9-18(12-27-13-19)16-5-6-21-20(10-16)24(31-30-21)22-11-17-7-8-26-14-23(17)29-22/h5-14,28-29H,1H2,2-4H3,(H,30,31).
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 408.51 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-5-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).