4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine

C26H22F2N6O2 — CID 169231935

IUPAC4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccc(F)cc4F)ncnc3cc2OC)cc1
InChIInChI=1S/C26H22F2N6O2/c1-34-13-19(23(33-34)18-9-6-16(27)10-20(18)28)24-25-21(30-14-31-24)11-22(36-3)26(32-25)29-12-15-4-7-17(35-2)8-5-15/h4-11,13-14H,12H2,1-3H3,(H,29,32)
InChIKeyKKHXLLXIYCKTFK-UHFFFAOYSA-N
MW488.50 g/mol
LogP5.00
Rot. Bonds7

About 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine

4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine (PubChem CID 169231935) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
PubChem CID169231935
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccc(F)cc4F)ncnc3cc2OC)cc1
InChIInChI=1S/C26H22F2N6O2/c1-34-13-19(23(33-34)18-9-6-16(27)10-20(18)28)24-25-21(30-14-31-24)11-22(36-3)26(32-25)29-12-15-4-7-17(35-2)8-5-15/h4-11,13-14H,12H2,1-3H3,(H,29,32)
InChIKeyKKHXLLXIYCKTFK-UHFFFAOYSA-N
XLogP5.00
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
CID 169231442
6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol
CID 169231498
N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231222
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine
CID 169231272
4-N-(2,4-difluorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860311
N-[4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 176837210
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
CID 169231230
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
CID 169231719
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-4-(trifluoromethyl)oxane-4-carboxamide
CID 169231024
6,6-difluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231482
6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol
CID 169231757

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine (CID 169231935) is 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine is COc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccc(F)cc4F)ncnc3cc2OC)cc1.
What is the InChIKey of 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
The InChIKey is KKHXLLXIYCKTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-34-13-19(23(33-34)18-9-6-16(27)10-20(18)28)24-25-21(30-14-31-24)11-22(36-3)26(32-25)29-12-15-4-7-17(35-2)8-5-15/h4-11,13-14H,12H2,1-3H3,(H,29,32).
What are the key properties of 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine has a molecular weight of 488.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 169231935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).