(7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine

C23H21N5 — CID 118974615

IUPAC(7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCC#Cc1cncc(-c2cccc([C@]3(C)Cc4nc(C)ncc4C(N)=N3)c2)c1
InChIInChI=1S/C23H21N5/c1-4-6-16-9-18(13-25-12-16)17-7-5-8-19(10-17)23(3)11-21-20(22(24)28-23)14-26-15(2)27-21/h5,7-10,12-14H,11H2,1-3H3,(H2,24,28)/t23-/m0/s1
InChIKeyDYISBCMYKOHXMD-QHCPKHFHSA-N
MW367.46 g/mol
LogP3.40
Rot. Bonds2

About (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine

(7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 118974615) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name(7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID118974615
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name(7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESCC#Cc1cncc(-c2cccc([C@]3(C)Cc4nc(C)ncc4C(N)=N3)c2)c1
InChIInChI=1S/C23H21N5/c1-4-6-16-9-18(13-25-12-16)17-7-5-8-19(10-17)23(3)11-21-20(22(24)28-23)14-26-15(2)27-21/h5,7-10,12-14H,11H2,1-3H3,(H2,24,28)/t23-/m0/s1
InChIKeyDYISBCMYKOHXMD-QHCPKHFHSA-N
XLogP3.40
TPSA77.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-methoxy-4,6-dimethylhepta-1,3,5-trien-2-yl)-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]pyrrolo[3,4-b]pyrazin-7-amine
CID 123461475
5-[5-[(7S)-5-amino-2-butan-2-yl-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]thiophen-3-yl]pyridine-3-carbonitrile
CID 138546403
6-[3-(5-methoxy-3-pyridinyl)phenyl]-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
CID 67984353
CID 174011226
CID 174011226
2-(1,4-dimethylcyclohexyl)-2-[2-ethyl-5-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-methylimidazol-4-amine
CID 129193955
(6S)-2-amino-3,6-dimethyl-6-[4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 23627211
3-methyl-3-(3-phenylphenyl)-4H-isoquinolin-1-amine;2,2,2-trifluoroacetic acid
CID 16730922
(6S)-2-amino-3,6-dimethyl-6-[5-(5-prop-1-ynyl-3-pyridinyl)-4-pyridin-3-ylthiophen-2-yl]-5H-pyrimidin-4-one
CID 69087432
3-[5-[(7S)-5-amino-7-methyl-8H-pyrido[4,3-d]pyrimidin-7-yl]-4-chlorothiophen-2-yl]benzonitrile
CID 118974589
CID 158314859
CID 158314859
(6S)-2-amino-6-[3-chloro-4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 24867106
(6S)-2-amino-6-[3-fluoro-4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 24867104

Frequently Asked Questions

What is the IUPAC name of (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine (CID 118974615) is (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine is CC#Cc1cncc(-c2cccc([C@]3(C)Cc4nc(C)ncc4C(N)=N3)c2)c1.
What is the InChIKey of (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is DYISBCMYKOHXMD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N5/c1-4-6-16-9-18(13-25-12-16)17-7-5-8-19(10-17)23(3)11-21-20(22(24)28-23)14-26-15(2)27-21/h5,7-10,12-14H,11H2,1-3H3,(H2,24,28)/t23-/m0/s1.
What are the key properties of (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine?
(7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 367.46 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,7-dimethyl-7-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-8H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 118974615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).