N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H11ClF2N6 — CID 126537565

IUPACN-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(-c2nc(Nc3cc(Cl)ncc3F)c3cc[nH]c3n2)ccc1F
InChIInChI=1S/C17H11ClF2N6/c1-8-10(19)2-3-12(23-8)17-25-15-9(4-5-21-15)16(26-17)24-13-6-14(18)22-7-11(13)20/h2-7H,1H3,(H2,21,22,24,25,26)
InChIKeyBNDKPNNQCVKOLA-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.40
Rot. Bonds3

About N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 126537565) has the molecular formula C17H11ClF2N6 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID126537565
Molecular FormulaC17H11ClF2N6
Molecular Weight372.77 g/mol
Exact Mass372.07
IUPAC NameN-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(-c2nc(Nc3cc(Cl)ncc3F)c3cc[nH]c3n2)ccc1F
InChIInChI=1S/C17H11ClF2N6/c1-8-10(19)2-3-12(23-8)17-25-15-9(4-5-21-15)16(26-17)24-13-6-14(18)22-7-11(13)20/h2-7H,1H3,(H2,21,22,24,25,26)
InChIKeyBNDKPNNQCVKOLA-UHFFFAOYSA-N
XLogP4.40
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-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

Pexidartinib
CID 25151352
L-745870
CID 5311200
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
Pexidartinib Hydrochloride
CID 73053710
SD-208
CID 10316032
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 126537450
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 126537565) is N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(-c2nc(Nc3cc(Cl)ncc3F)c3cc[nH]c3n2)ccc1F.
What is the InChIKey of N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BNDKPNNQCVKOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N6/c1-8-10(19)2-3-12(23-8)17-25-15-9(4-5-21-15)16(26-17)24-13-6-14(18)22-7-11(13)20/h2-7H,1H3,(H2,21,22,24,25,26).
What are the key properties of N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 372.77 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoro-4-pyridinyl)-2-(5-fluoro-6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 126537565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).