(7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine

C19H15ClFN5 — CID 118974301

IUPAC(7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESC[C@@]1(c2cc(-c3cncc(Cl)c3)ccc2F)Cc2ncncc2C(N)=N1
InChIInChI=1S/C19H15ClFN5/c1-19(6-17-14(18(22)26-19)9-24-10-25-17)15-5-11(2-3-16(15)21)12-4-13(20)8-23-7-12/h2-5,7-10H,6H2,1H3,(H2,22,26)/t19-/m0/s1
InChIKeyYRRMYMSCRCEKQV-IBGZPJMESA-N
MW367.82 g/mol
LogP3.51
Rot. Bonds2

About (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine

(7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 118974301) has the molecular formula C19H15ClFN5 and a molecular weight of 367.82 g/mol. Its IUPAC name is (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name(7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID118974301
Molecular FormulaC19H15ClFN5
Molecular Weight367.82 g/mol
Exact Mass367.10
IUPAC Name(7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESC[C@@]1(c2cc(-c3cncc(Cl)c3)ccc2F)Cc2ncncc2C(N)=N1
InChIInChI=1S/C19H15ClFN5/c1-19(6-17-14(18(22)26-19)9-24-10-25-17)15-5-11(2-3-16(15)21)12-4-13(20)8-23-7-12/h2-5,7-10H,6H2,1H3,(H2,22,26)/t19-/m0/s1
InChIKeyYRRMYMSCRCEKQV-IBGZPJMESA-N
XLogP3.51
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine (CID 118974301) is (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine is C[C@@]1(c2cc(-c3cncc(Cl)c3)ccc2F)Cc2ncncc2C(N)=N1.
What is the InChIKey of (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is YRRMYMSCRCEKQV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15ClFN5/c1-19(6-17-14(18(22)26-19)9-24-10-25-17)15-5-11(2-3-16(15)21)12-4-13(20)8-23-7-12/h2-5,7-10H,6H2,1H3,(H2,22,26)/t19-/m0/s1.
What are the key properties of (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
(7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 367.82 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[5-(5-chloro-3-pyridinyl)-2-fluorophenyl]-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 118974301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).