N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

C21H24N6O — CID 66548108

IUPACN-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1cc(CN(C)C)ccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
InChIInChI=1S/C21H24N6O/c1-26(2)12-14-5-6-17(20(7-14)28-4)25-21-9-19-15(10-22-21)8-18(24-19)16-11-23-27(3)13-16/h5-11,13,24H,12H2,1-4H3,(H,22,25)
InChIKeyZEEROXJKLSUWLW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.78
Rot. Bonds6

About N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66548108) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID66548108
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCOc1cc(CN(C)C)ccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
InChIInChI=1S/C21H24N6O/c1-26(2)12-14-5-6-17(20(7-14)28-4)25-21-9-19-15(10-22-21)8-18(24-19)16-11-23-27(3)13-16/h5-11,13,24H,12H2,1-4H3,(H,22,25)
InChIKeyZEEROXJKLSUWLW-UHFFFAOYSA-N
XLogP3.78
TPSA71.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 66548108) is N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is COc1cc(CN(C)C)ccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is ZEEROXJKLSUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)12-14-5-6-17(20(7-14)28-4)25-21-9-19-15(10-22-21)8-18(24-19)16-11-23-27(3)13-16/h5-11,13,24H,12H2,1-4H3,(H,22,25).
What are the key properties of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 376.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66548108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).