N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine

C20H23N5 — CID 146288451

IUPACN-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine
SMILESCCCCn1ccc2c(Nc3ccc(C)c4c3cnn4C)nccc21
InChIInChI=1S/C20H23N5/c1-4-5-11-25-12-9-15-18(25)8-10-21-20(15)23-17-7-6-14(2)19-16(17)13-22-24(19)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyBDKJBDFSMITXFH-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.78
Rot. Bonds5

About N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine

N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine (PubChem CID 146288451) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine.

Molecular Properties

Compound NameN-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine
PubChem CID146288451
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine
SMILESCCCCn1ccc2c(Nc3ccc(C)c4c3cnn4C)nccc21
InChIInChI=1S/C20H23N5/c1-4-5-11-25-12-9-15-18(25)8-10-21-20(15)23-17-7-6-14(2)19-16(17)13-22-24(19)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,23)
InChIKeyBDKJBDFSMITXFH-UHFFFAOYSA-N
XLogP4.78
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
CID 146288452
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647
1-butyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288668
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine
CID 158765655
N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
methyl 4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,5-dimethylbenzoate
CID 146288201
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
6,18-di(tridecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783644

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine?
The IUPAC name of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine (CID 146288451) is N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine.
What is the SMILES notation for N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine?
The canonical SMILES for N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine is CCCCn1ccc2c(Nc3ccc(C)c4c3cnn4C)nccc21.
What is the InChIKey of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine?
The InChIKey is BDKJBDFSMITXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-5-11-25-12-9-15-18(25)8-10-21-20(15)23-17-7-6-14(2)19-16(17)13-22-24(19)3/h6-10,12-13H,4-5,11H2,1-3H3,(H,21,23).
What are the key properties of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine?
N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine has a molecular weight of 333.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine is sourced from PubChem (CID 146288451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).