4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C29H34FN5O2 — CID 42871067

IUPAC4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1
InChIInChI=1S/C29H34FN5O2/c1-19(2)21-7-9-23(10-8-21)31-29(36)35-16-13-26-25(18-35)27(37-24-6-4-5-22(30)17-24)33-28(32-26)34-14-11-20(3)12-15-34/h4-10,17,19-20H,11-16,18H2,1-3H3,(H,31,36)
InChIKeyVFNCNWZEPGNGQW-UHFFFAOYSA-N
MW503.62 g/mol
LogP6.36
Rot. Bonds5

About 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42871067) has the molecular formula C29H34FN5O2 and a molecular weight of 503.62 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42871067
Molecular FormulaC29H34FN5O2
Molecular Weight503.62 g/mol
Exact Mass503.27
IUPAC Name4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1
InChIInChI=1S/C29H34FN5O2/c1-19(2)21-7-9-23(10-8-21)31-29(36)35-16-13-26-25(18-35)27(37-24-6-4-5-22(30)17-24)33-28(32-26)34-14-11-20(3)12-15-34/h4-10,17,19-20H,11-16,18H2,1-3H3,(H,31,36)
InChIKeyVFNCNWZEPGNGQW-UHFFFAOYSA-N
XLogP6.36
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.62
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42871067) is 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is VFNCNWZEPGNGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O2/c1-19(2)21-7-9-23(10-8-21)31-29(36)35-16-13-26-25(18-35)27(37-24-6-4-5-22(30)17-24)33-28(32-26)34-14-11-20(3)12-15-34/h4-10,17,19-20H,11-16,18H2,1-3H3,(H,31,36).
What are the key properties of 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 503.62 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42871067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).