1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine

C20H22N4 — CID 158765655

IUPAC1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine
SMILESCCCCn1ccc2c(Cc3c(C)ccc4[nH]ncc34)nccc21
InChIInChI=1S/C20H22N4/c1-3-4-10-24-11-8-15-19(21-9-7-20(15)24)12-16-14(2)5-6-18-17(16)13-22-23-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,22,23)
InChIKeyIPFMGJPRMBIRQL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.61
Rot. Bonds5

About 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine

1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine (PubChem CID 158765655) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine
PubChem CID158765655
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine
SMILESCCCCn1ccc2c(Cc3c(C)ccc4[nH]ncc34)nccc21
InChIInChI=1S/C20H22N4/c1-3-4-10-24-11-8-15-19(21-9-7-20(15)24)12-16-14(2)5-6-18-17(16)13-22-23-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,22,23)
InChIKeyIPFMGJPRMBIRQL-UHFFFAOYSA-N
XLogP4.61
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
CID 146288452
N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine
CID 146288451
6,18-diheptyl-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 144783572
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
6,18-di(undecyl)-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 144783653
4-(1-butyl-4,5-dichloroimidazol-2-yl)-5-methyl-1H-indazole
CID 58669505
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647
2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 158557883
N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 162240410
1-ethyl-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 141180271
1-butyl-4-ethenylindole
CID 178203194
4-(1-butylindol-4-yl)-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 143589798

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine (CID 158765655) is 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine is CCCCn1ccc2c(Cc3c(C)ccc4[nH]ncc34)nccc21.
What is the InChIKey of 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine?
The InChIKey is IPFMGJPRMBIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-4-10-24-11-8-15-19(21-9-7-20(15)24)12-16-14(2)5-6-18-17(16)13-22-23-18/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,22,23).
What are the key properties of 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine?
1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine has a molecular weight of 318.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158765655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).