N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C24H24Cl2FN5O3 — CID 157260495

IUPACN-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1cnco1)N1CCc2cnc(C[C@H]3CCOC[C@H]3F)nc2C1
InChIInChI=1S/C24H24Cl2FN5O3/c25-17-2-1-15(7-18(17)26)23(21-10-28-13-35-21)31-24(33)32-5-3-16-9-29-22(30-20(16)11-32)8-14-4-6-34-12-19(14)27/h1-2,7,9-10,13-14,19,23H,3-6,8,11-12H2,(H,31,33)/t14-,19-,23+/m1/s1
InChIKeyAXJXTLUKQPNYHR-FOZYCNAUSA-N
MW520.39 g/mol
LogP4.55
Rot. Bonds5

About N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 157260495) has the molecular formula C24H24Cl2FN5O3 and a molecular weight of 520.39 g/mol. Its IUPAC name is N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID157260495
Molecular FormulaC24H24Cl2FN5O3
Molecular Weight520.39 g/mol
Exact Mass519.12
IUPAC NameN-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1cnco1)N1CCc2cnc(C[C@H]3CCOC[C@H]3F)nc2C1
InChIInChI=1S/C24H24Cl2FN5O3/c25-17-2-1-15(7-18(17)26)23(21-10-28-13-35-21)31-24(33)32-5-3-16-9-29-22(30-20(16)11-32)8-14-4-6-34-12-19(14)27/h1-2,7,9-10,13-14,19,23H,3-6,8,11-12H2,(H,31,33)/t14-,19-,23+/m1/s1
InChIKeyAXJXTLUKQPNYHR-FOZYCNAUSA-N
XLogP4.55
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-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)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 157260495) is N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1cnco1)N1CCc2cnc(C[C@H]3CCOC[C@H]3F)nc2C1.
What is the InChIKey of N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is AXJXTLUKQPNYHR-FOZYCNAUSA-N. The full InChI is InChI=1S/C24H24Cl2FN5O3/c25-17-2-1-15(7-18(17)26)23(21-10-28-13-35-21)31-24(33)32-5-3-16-9-29-22(30-20(16)11-32)8-14-4-6-34-12-19(14)27/h1-2,7,9-10,13-14,19,23H,3-6,8,11-12H2,(H,31,33)/t14-,19-,23+/m1/s1.
What are the key properties of N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 520.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,4-dichlorophenyl)-(1,3-oxazol-5-yl)methyl]-2-[[(3S,4S)-3-fluorooxan-4-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 157260495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).