N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine

C18H22N4O2 — CID 170700349

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(CNc2ccc3ncn(C(C)C)c3n2)c(OC)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-11-20-15-7-8-17(21-18(15)22)19-10-13-5-6-14(23-3)9-16(13)24-4/h5-9,11-12H,10H2,1-4H3,(H,19,21)
InChIKeyYPZIPUVIDGSESX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine (PubChem CID 170700349) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine
PubChem CID170700349
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(CNc2ccc3ncn(C(C)C)c3n2)c(OC)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)22-11-20-15-7-8-17(21-18(15)22)19-10-13-5-6-14(23-3)9-16(13)24-4/h5-9,11-12H,10H2,1-4H3,(H,19,21)
InChIKeyYPZIPUVIDGSESX-UHFFFAOYSA-N
XLogP3.64
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-6-methylquinoxalin-2-amine
CID 57476570
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1R)-1-fluoroethyl]pyrimidine-4,6-diamine
CID 175947842
N-[6-[(2,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-3-hydroxybutanamide
CID 110179389
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-4-amine;ethane
CID 145306239
N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
6-methoxy-N-[[2-methoxy-4-(methylamino)phenyl]methyl]quinoxalin-2-amine
CID 163752941
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine (CID 170700349) is N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine is COc1ccc(CNc2ccc3ncn(C(C)C)c3n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine?
The InChIKey is YPZIPUVIDGSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)22-11-20-15-7-8-17(21-18(15)22)19-10-13-5-6-14(23-3)9-16(13)24-4/h5-9,11-12H,10H2,1-4H3,(H,19,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine has a molecular weight of 326.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 170700349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).