[2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide

C21H23F2N6O2- — CID 142381150

IUPAC[2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c([N-]C3CCN(C)CC3)n2)c1F
InChIInChI=1S/C21H23F2N6O2/c1-29-6-4-12(5-7-29)26-20-19-11(10-25-21(24)28-19)8-13(27-20)16-17(22)14(30-2)9-15(31-3)18(16)23/h8-10,12H,4-7H2,1-3H3,(H2-,24,25,26,27,28)/q-1
InChIKeyCPCYYNDBFAFCPD-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.67
Rot. Bonds5

About [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide

[2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide (PubChem CID 142381150) has the molecular formula C21H23F2N6O2- and a molecular weight of 429.45 g/mol. Its IUPAC name is [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide.

Molecular Properties

Compound Name[2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide
PubChem CID142381150
Molecular FormulaC21H23F2N6O2-
Molecular Weight429.45 g/mol
Exact Mass429.19
IUPAC Name[2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c([N-]C3CCN(C)CC3)n2)c1F
InChIInChI=1S/C21H23F2N6O2/c1-29-6-4-12(5-7-29)26-20-19-11(10-25-21(24)28-19)8-13(27-20)16-17(22)14(30-2)9-15(31-3)18(16)23/h8-10,12H,4-7H2,1-3H3,(H2-,24,25,26,27,28)/q-1
InChIKeyCPCYYNDBFAFCPD-UHFFFAOYSA-N
XLogP3.67
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide?
The IUPAC name of [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide (CID 142381150) is [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide.
What is the SMILES notation for [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide?
The canonical SMILES for [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide is COc1cc(OC)c(F)c(-c2cc3cnc(N)nc3c([N-]C3CCN(C)CC3)n2)c1F.
What is the InChIKey of [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide?
The InChIKey is CPCYYNDBFAFCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N6O2/c1-29-6-4-12(5-7-29)26-20-19-11(10-25-21(24)28-19)8-13(27-20)16-17(22)14(30-2)9-15(31-3)18(16)23/h8-10,12H,4-7H2,1-3H3,(H2-,24,25,26,27,28)/q-1.
What are the key properties of [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide?
[2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide has a molecular weight of 429.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-8-yl]-(1-methylpiperidin-4-yl)azanide is sourced from PubChem (CID 142381150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).