5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C25H22F2N6O2 — CID 167120091

IUPAC5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCc5[nH]ncc5C)nc(OC)nc4c3F)c12
InChIInChI=1S/C25H22F2N6O2/c1-4-15-18(26)6-5-13-7-14(34)8-16(20(13)15)22-21(27)23-17(10-28-22)24(32-25(31-23)35-3)29-11-19-12(2)9-30-33-19/h5-10,34H,4,11H2,1-3H3,(H,30,33)(H,29,31,32)
InChIKeySVHOMVMKMWKDAX-UHFFFAOYSA-N
MW476.49 g/mol
LogP5.04
Rot. Bonds6

About 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 167120091) has the molecular formula C25H22F2N6O2 and a molecular weight of 476.49 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
PubChem CID167120091
Molecular FormulaC25H22F2N6O2
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Name5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCc5[nH]ncc5C)nc(OC)nc4c3F)c12
InChIInChI=1S/C25H22F2N6O2/c1-4-15-18(26)6-5-13-7-14(34)8-16(20(13)15)22-21(27)23-17(10-28-22)24(32-25(31-23)35-3)29-11-19-12(2)9-30-33-19/h5-10,34H,4,11H2,1-3H3,(H,30,33)(H,29,31,32)
InChIKeySVHOMVMKMWKDAX-UHFFFAOYSA-N
XLogP5.04
TPSA108.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.49
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 167120091) is 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The canonical SMILES for 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(NCc5[nH]ncc5C)nc(OC)nc4c3F)c12.
What is the InChIKey of 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
The InChIKey is SVHOMVMKMWKDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O2/c1-4-15-18(26)6-5-13-7-14(34)8-16(20(13)15)22-21(27)23-17(10-28-22)24(32-25(31-23)35-3)29-11-19-12(2)9-30-33-19/h5-10,34H,4,11H2,1-3H3,(H,30,33)(H,29,31,32).
What are the key properties of 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?
5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 476.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-4-[8-fluoro-2-methoxy-4-[(4-methyl-1H-pyrazol-5-yl)methylamino]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 167120091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).