7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine

C25H28FN9O — CID 154815576

IUPAC7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn(C5CCN(C)CC5)c4)nc3cc2F)cn1
InChIInChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33)
InChIKeySZURKEABSBIIMJ-UHFFFAOYSA-N
MW489.56 g/mol
LogP4.07
Rot. Bonds6

About 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine

7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 154815576) has the molecular formula C25H28FN9O and a molecular weight of 489.56 g/mol. Its IUPAC name is 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID154815576
Molecular FormulaC25H28FN9O
Molecular Weight489.56 g/mol
Exact Mass489.24
IUPAC Name7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn(C5CCN(C)CC5)c4)nc3cc2F)cn1
InChIInChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33)
InChIKeySZURKEABSBIIMJ-UHFFFAOYSA-N
XLogP4.07
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine (CID 154815576) is 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine is Cc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn(C5CCN(C)CC5)c4)nc3cc2F)cn1.
What is the InChIKey of 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is SZURKEABSBIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33).
What are the key properties of 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine?
7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 489.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(1-methylcyclopropyl)oxy-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 154815576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).