N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

C20H16F2N6O — CID 118958876

IUPACN-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cc2ncncc2C(N)=N1
InChIInChI=1S/C20H16F2N6O/c1-20(7-17-13(18(23)28-20)9-24-10-26-17)14-6-12(3-4-15(14)22)27-19(29)16-5-2-11(21)8-25-16/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,27,29)/t20-/m0/s1
InChIKeyBRCYVPIMBJJFFF-FQEVSTJZSA-N
MW394.39 g/mol
LogP2.58
Rot. Bonds3

About N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 118958876) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
PubChem CID118958876
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cc2ncncc2C(N)=N1
InChIInChI=1S/C20H16F2N6O/c1-20(7-17-13(18(23)28-20)9-24-10-26-17)14-6-12(3-4-15(14)22)27-19(29)16-5-2-11(21)8-25-16/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,27,29)/t20-/m0/s1
InChIKeyBRCYVPIMBJJFFF-FQEVSTJZSA-N
XLogP2.58
TPSA106.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 118958876) is N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cc2ncncc2C(N)=N1.
What is the InChIKey of N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is BRCYVPIMBJJFFF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-20(7-17-13(18(23)28-20)9-24-10-26-17)14-6-12(3-4-15(14)22)27-19(29)16-5-2-11(21)8-25-16/h2-6,8-10H,7H2,1H3,(H2,23,28)(H,27,29)/t20-/m0/s1.
What are the key properties of N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 118958876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).