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

C17H15ClFN5 — CID 166539548

IUPACN-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2cnc([C@@H]3CCNC3)cc12
InChIInChI=1S/C17H15ClFN5/c18-12-2-1-3-13(16(12)19)24-17-11-6-14(10-4-5-20-7-10)21-8-15(11)22-9-23-17/h1-3,6,8-10,20H,4-5,7H2,(H,22,23,24)/t10-/m1/s1
InChIKeyXJKJQVNLLZSADM-SNVBAGLBSA-N
MW343.79 g/mol
LogP3.64
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166539548) has the molecular formula C17H15ClFN5 and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID166539548
Molecular FormulaC17H15ClFN5
Molecular Weight343.79 g/mol
Exact Mass343.10
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2cnc([C@@H]3CCNC3)cc12
InChIInChI=1S/C17H15ClFN5/c18-12-2-1-3-13(16(12)19)24-17-11-6-14(10-4-5-20-7-10)21-8-15(11)22-9-23-17/h1-3,6,8-10,20H,4-5,7H2,(H,22,23,24)/t10-/m1/s1
InChIKeyXJKJQVNLLZSADM-SNVBAGLBSA-N
XLogP3.64
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-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

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-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(pyrrolidin-3-ylmethoxy)quinazolin-4-amine
CID 68519315
N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine
CID 156505416
6-(azetidin-3-ylsulfanyl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
CID 164870314
N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
[4-(3-chloro-2-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl] pyrrolidine-1-carboxylate
CID 166539807

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (CID 166539548) is N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2cnc([C@@H]3CCNC3)cc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is XJKJQVNLLZSADM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15ClFN5/c18-12-2-1-3-13(16(12)19)24-17-11-6-14(10-4-5-20-7-10)21-8-15(11)22-9-23-17/h1-3,6,8-10,20H,4-5,7H2,(H,22,23,24)/t10-/m1/s1.
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 343.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166539548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).