N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

C33H33N7O4S — CID 177195466

IUPACN-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(-c4ccn(C)n4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C33H33N7O4S/c1-18-8-11-27(42-6)19(2)30(18)44-32-29-23(15-26(36-32)25-12-13-40(4)39-25)24(33-38-37-20(3)45-33)17-35-31(29)34-16-21-9-10-22(41-5)14-28(21)43-7/h8-15,17H,16H2,1-7H3,(H,34,35)
InChIKeyKFIPSNVCJGPJNM-UHFFFAOYSA-N
MW623.74 g/mol
LogP6.90
Rot. Bonds10

About N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195466) has the molecular formula C33H33N7O4S and a molecular weight of 623.74 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
PubChem CID177195466
Molecular FormulaC33H33N7O4S
Molecular Weight623.74 g/mol
Exact Mass623.23
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(-c4ccn(C)n4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C33H33N7O4S/c1-18-8-11-27(42-6)19(2)30(18)44-32-29-23(15-26(36-32)25-12-13-40(4)39-25)24(33-38-37-20(3)45-33)17-35-31(29)34-16-21-9-10-22(41-5)14-28(21)43-7/h8-15,17H,16H2,1-7H3,(H,34,35)
InChIKeyKFIPSNVCJGPJNM-UHFFFAOYSA-N
XLogP6.90
TPSA118.33 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500623.74
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

3-[[8-Amino-3-[1-(difluoromethyl)pyrazol-3-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195399
1-(2,4-Dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 90002801
1-[2-Methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 90003372
N'-(3,5-dimethoxy-2-methylphenyl)-N'-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-propan-2-ylethane-1,2-diamine
CID 117916416
1-[8-[Bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea
CID 135344403
2-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-N-methylacetamide
CID 135344506
2-[4-[[8-[Bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 135344610
1-[3-[4-[[8-[Bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 135345406
1-N,1-N-bis[(2,4-dimethoxyphenyl)methyl]-6-N-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
CID 135349133
tert-butyl (3R)-3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142516050
Tert-butyl 3-[4-[(2,4-dimethoxyphenyl)methylamino]-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749956
Tert-butyl 3-[4-[(2,4-dimethoxyphenyl)methylamino]-7-(1-methylpyrazol-4-yl)-3-(4-phenoxyphenyl)pyrazolo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 146524248

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (CID 177195466) is N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is COc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(-c4ccn(C)n4)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The InChIKey is KFIPSNVCJGPJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N7O4S/c1-18-8-11-27(42-6)19(2)30(18)44-32-29-23(15-26(36-32)25-12-13-40(4)39-25)24(33-38-37-20(3)45-33)17-35-31(29)34-16-21-9-10-22(41-5)14-28(21)43-7/h8-15,17H,16H2,1-7H3,(H,34,35).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine has a molecular weight of 623.74 g/mol, XLogP of 6.90, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).