N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C24H26ClFN6O2 — CID 160969179

IUPACN-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(N[C@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1)N1CCc2cnc(CC3CCOCC3)nc2C1
InChIInChI=1S/C24H26ClFN6O2/c25-19-2-1-16(10-20(19)26)23(18-12-28-29-13-18)31-24(33)32-6-3-17-11-27-22(30-21(17)14-32)9-15-4-7-34-8-5-15/h1-2,10-13,15,23H,3-9,14H2,(H,28,29)(H,31,33)/t23-/m0/s1
InChIKeySYANCHJNHRLUAZ-QHCPKHFHSA-N
MW484.96 g/mol
LogP3.82
Rot. Bonds5

About N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 160969179) has the molecular formula C24H26ClFN6O2 and a molecular weight of 484.96 g/mol. Its IUPAC name is N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID160969179
Molecular FormulaC24H26ClFN6O2
Molecular Weight484.96 g/mol
Exact Mass484.18
IUPAC NameN-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(N[C@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1)N1CCc2cnc(CC3CCOCC3)nc2C1
InChIInChI=1S/C24H26ClFN6O2/c25-19-2-1-16(10-20(19)26)23(18-12-28-29-13-18)31-24(33)32-6-3-17-11-27-22(30-21(17)14-32)9-15-4-7-34-8-5-15/h1-2,10-13,15,23H,3-9,14H2,(H,28,29)(H,31,33)/t23-/m0/s1
InChIKeySYANCHJNHRLUAZ-QHCPKHFHSA-N
XLogP3.82
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 160969179) is N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is O=C(N[C@H](c1cn[nH]c1)c1ccc(Cl)c(F)c1)N1CCc2cnc(CC3CCOCC3)nc2C1.
What is the InChIKey of N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is SYANCHJNHRLUAZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26ClFN6O2/c25-19-2-1-16(10-20(19)26)23(18-12-28-29-13-18)31-24(33)32-6-3-17-11-27-22(30-21(17)14-32)9-15-4-7-34-8-5-15/h1-2,10-13,15,23H,3-9,14H2,(H,28,29)(H,31,33)/t23-/m0/s1.
What are the key properties of N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 484.96 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chloro-3-fluorophenyl)-(1H-pyrazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 160969179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).