2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C43H46ClF4N13 — CID 160954332

IUPAC2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)CN5CCCC5)c4)cc3n2)c1.FC(F)(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C25H28F2N8.C18H18ClF2N5/c1-17(2)18-10-24(33-29-12-18)32-23-6-5-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-7-3-4-8-34;19-17-4-3-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-5-1-2-6-25/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,31,32,33);3-4,7-10H,1-2,5-6,11-12H2
InChIKeySWEIXQYREFYZQT-UHFFFAOYSA-N
MW856.38 g/mol
LogP8.76
Rot. Bonds13

About 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 160954332) has the molecular formula C43H46ClF4N13 and a molecular weight of 856.38 g/mol. Its IUPAC name is 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID160954332
Molecular FormulaC43H46ClF4N13
Molecular Weight856.38 g/mol
Exact Mass855.36
IUPAC Name2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)CN5CCCC5)c4)cc3n2)c1.FC(F)(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C25H28F2N8.C18H18ClF2N5/c1-17(2)18-10-24(33-29-12-18)32-23-6-5-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-7-3-4-8-34;19-17-4-3-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-5-1-2-6-25/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,31,32,33);3-4,7-10H,1-2,5-6,11-12H2
InChIKeySWEIXQYREFYZQT-UHFFFAOYSA-N
XLogP8.76
TPSA131.49 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500856.38
LogP ≤ 58.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine with MolForge

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Related Compounds

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4-(3-(4-chlorobenzyl)-4,5-dihydro-3H-1,2,2a1,5-tetraazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyridin-2-amine
CID 118200130
4-[(11S)-11-[(4-chlorophenyl)methyl]-2,9,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,5,7-tetraen-6-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 145713220
4-[(11R)-11-[(4-chlorophenyl)methyl]-2,9,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,5,7-tetraen-6-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 145713221
7-(3-chloropyridin-2-yl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-c]pyridazin-4-amine
CID 58945612
N-[3-chloro-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
CID 90098686
N-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)pyridin-2-amine
CID 90099392
7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288446
7-[1-[3-(4,4-difluoropiperidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288497
7-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288511
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90288587
7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 160954332) is 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(F)(F)CN5CCCC5)c4)cc3n2)c1.FC(F)(CN1CCCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is SWEIXQYREFYZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8.C18H18ClF2N5/c1-17(2)18-10-24(33-29-12-18)32-23-6-5-21-22(31-23)9-19(11-28-21)20-13-30-35(14-20)16-25(26,27)15-34-7-3-4-8-34;19-17-4-3-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-5-1-2-6-25/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H,31,32,33);3-4,7-10H,1-2,5-6,11-12H2.
What are the key properties of 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 856.38 g/mol, XLogP of 8.76, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;7-[1-(2,2-difluoro-3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 160954332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).