6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

C39H40N10O4S — CID 177195651

IUPAC6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CCn5nccc5C4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
InChIInChI=1S/C39H40N10O4S/c1-23-8-11-31-30(21-43-49(31)34-7-5-6-16-52-34)36(23)53-38-35-28(18-33(44-38)47-14-15-48-26(22-47)12-13-42-48)29(39-46-45-24(2)54-39)20-41-37(35)40-19-25-9-10-27(50-3)17-32(25)51-4/h8-13,17-18,20-21,34H,5-7,14-16,19,22H2,1-4H3,(H,40,41)
InChIKeyZLJVCAXIDDLMFQ-UHFFFAOYSA-N
MW744.88 g/mol
LogP7.45
Rot. Bonds10

About 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine

6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195651) has the molecular formula C39H40N10O4S and a molecular weight of 744.88 g/mol. Its IUPAC name is 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
PubChem CID177195651
Molecular FormulaC39H40N10O4S
Molecular Weight744.88 g/mol
Exact Mass744.30
IUPAC Name6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CCn5nccc5C4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
InChIInChI=1S/C39H40N10O4S/c1-23-8-11-31-30(21-43-49(31)34-7-5-6-16-52-34)36(23)53-38-35-28(18-33(44-38)47-14-15-48-26(22-47)12-13-42-48)29(39-46-45-24(2)54-39)20-41-37(35)40-19-25-9-10-27(50-3)17-32(25)51-4/h8-13,17-18,20-21,34H,5-7,14-16,19,22H2,1-4H3,(H,40,41)
InChIKeyZLJVCAXIDDLMFQ-UHFFFAOYSA-N
XLogP7.45
TPSA139.39 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.88
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195385
N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine
CID 177195611
7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
CID 177195504
6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid
CID 163382909
3-bromo-N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-4-amine
CID 163207711
6-[(2,4-dimethoxyphenyl)methylamino]-8,9-dihydro-7H-cyclopenta[c][1,8]naphthyridine-2-carboxylic acid;ethane
CID 163382908
1-cyclohexyl-6-[(2,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136969944
tert-butyl N-[1-[4-[(2,4-dimethoxyphenyl)methylamino]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-7-yl]pyrazol-4-yl]carbamate
CID 177195667
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46410868
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)-3-trimethylstannylpyrazolo[3,4-d]pyrimidin-4-amine
CID 171091093
7-[5-chloro-2-[1-(oxan-2-yl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-N-[(2,4-dimethoxyphenyl)methyl]cinnolin-4-amine
CID 168987029
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 133492466

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine (CID 177195651) is 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is COc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CCn5nccc5C4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1.
What is the InChIKey of 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
The InChIKey is ZLJVCAXIDDLMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N10O4S/c1-23-8-11-31-30(21-43-49(31)34-7-5-6-16-52-34)36(23)53-38-35-28(18-33(44-38)47-14-15-48-26(22-47)12-13-42-48)29(39-46-45-24(2)54-39)20-41-37(35)40-19-25-9-10-27(50-3)17-32(25)51-4/h8-13,17-18,20-21,34H,5-7,14-16,19,22H2,1-4H3,(H,40,41).
What are the key properties of 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine?
6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine has a molecular weight of 744.88 g/mol, XLogP of 7.45, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).