N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine

C18H16Cl2FN5 — CID 166540129

IUPACN-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc([C@@H]4CCCNC4)nc23)ccc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2FN5/c19-11-3-4-13(16(21)15(11)20)26-18-17-14(23-9-24-18)6-5-12(25-17)10-2-1-7-22-8-10/h3-6,9-10,22H,1-2,7-8H2,(H,23,24,26)/t10-/m1/s1
InChIKeyIUSRPOQYOMSTIA-SNVBAGLBSA-N
MW392.27 g/mol
LogP4.68
Rot. Bonds3

About N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine

N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166540129) has the molecular formula C18H16Cl2FN5 and a molecular weight of 392.27 g/mol. Its IUPAC name is N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166540129
Molecular FormulaC18H16Cl2FN5
Molecular Weight392.27 g/mol
Exact Mass391.08
IUPAC NameN-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFc1c(Nc2ncnc3ccc([C@@H]4CCCNC4)nc23)ccc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2FN5/c19-11-3-4-13(16(21)15(11)20)26-18-17-14(23-9-24-18)6-5-12(25-17)10-2-1-7-22-8-10/h3-6,9-10,22H,1-2,7-8H2,(H,23,24,26)/t10-/m1/s1
InChIKeyIUSRPOQYOMSTIA-SNVBAGLBSA-N
XLogP4.68
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 166538757
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
CID 166540141
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine
CID 156505188
N-[3-chloro-2-fluoro-4-(oxetan-3-ylmethoxy)phenyl]-6-piperidin-3-ylquinazolin-4-amine
CID 166539429
N-(3,4-dichloro-2-fluorophenyl)-6-[(3S)-3-fluoropyrrolidin-3-yl]quinazolin-4-amine
CID 166539742
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539548
4-(3,4-dichloro-2-fluoroanilino)-6-[(3-methylazetidin-3-yl)methyl]pyrido[3,2-d]pyrimidin-7-ol
CID 156797223
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
methyl 3-[4-(3,4-dichloro-2-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]sulfanylpropanoate
CID 156505140
1-[(3S)-3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxypyrido[3,2-d]pyrimidin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 166538680

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 166540129) is N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine is Fc1c(Nc2ncnc3ccc([C@@H]4CCCNC4)nc23)ccc(Cl)c1Cl.
What is the InChIKey of N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is IUSRPOQYOMSTIA-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16Cl2FN5/c19-11-3-4-13(16(21)15(11)20)26-18-17-14(23-9-24-18)6-5-12(25-17)10-2-1-7-22-8-10/h3-6,9-10,22H,1-2,7-8H2,(H,23,24,26)/t10-/m1/s1.
What are the key properties of N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 392.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166540129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).