2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine

C47H40Cl2F2N14 — CID 158208911

IUPAC2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1.NCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1
InChIInChI=1S/C25H23ClFN7.C22H17ClFN7/c1-15(2)28-7-8-34-14-17(12-31-34)16-9-24-23(29-11-16)6-5-22(32-24)20-13-30-33-25(20)19-10-18(26)3-4-21(19)27;23-15-1-2-18(24)16(8-15)22-17(11-27-30-22)19-3-4-20-21(29-19)7-13(9-26-20)14-10-28-31(12-14)6-5-25/h3-6,9-15,28H,7-8H2,1-2H3,(H,30,33);1-4,7-12H,5-6,25H2,(H,27,30)
InChIKeyGBVDZNVDXQMVJN-UHFFFAOYSA-N
MW909.84 g/mol
LogP9.64
Rot. Bonds12

About 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine

2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine (PubChem CID 158208911) has the molecular formula C47H40Cl2F2N14 and a molecular weight of 909.84 g/mol. Its IUPAC name is 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine
PubChem CID158208911
Molecular FormulaC47H40Cl2F2N14
Molecular Weight909.84 g/mol
Exact Mass908.29
IUPAC Name2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1.NCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1
InChIInChI=1S/C25H23ClFN7.C22H17ClFN7/c1-15(2)28-7-8-34-14-17(12-31-34)16-9-24-23(29-11-16)6-5-22(32-24)20-13-30-33-25(20)19-10-18(26)3-4-21(19)27;23-15-1-2-18(24)16(8-15)22-17(11-27-30-22)19-3-4-20-21(29-19)7-13(9-26-20)14-10-28-31(12-14)6-5-25/h3-6,9-15,28H,7-8H2,1-2H3,(H,30,33);1-4,7-12H,5-6,25H2,(H,27,30)
InChIKeyGBVDZNVDXQMVJN-UHFFFAOYSA-N
XLogP9.64
TPSA182.61 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.84
LogP ≤ 59.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine with MolForge

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Related Compounds

N-[2-[5-chloro-4-[2-[[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]methyl]cyclopropyl]-2-fluorophenyl]-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 123140072
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methyl-2,5-dihydropyrrol-3-yl)-1,5-naphthyridine
CID 146661691
N-(azetidin-3-ylmethyl)-6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
CID 146661697
2-[4-[6-[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]triazol-1-yl]-N-methylethanamine
CID 146661718
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 146661720
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,5-naphthyridin-3-amine
CID 146661721
6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-N-(piperidin-2-ylmethyl)-1,5-naphthyridin-3-amine
CID 146661722
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 146661724
methyl 3-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
CID 146661725
1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
CID 146661727
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]-N-methylethanamine
CID 146661728
1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine
CID 146661729

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine (CID 158208911) is 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine is CC(C)NCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1.NCCn1cc(-c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)cn1.
What is the InChIKey of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is GBVDZNVDXQMVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN7.C22H17ClFN7/c1-15(2)28-7-8-34-14-17(12-31-34)16-9-24-23(29-11-16)6-5-22(32-24)20-13-30-33-25(20)19-10-18(26)3-4-21(19)27;23-15-1-2-18(24)16(8-15)22-17(11-27-30-22)19-3-4-20-21(29-19)7-13(9-26-20)14-10-28-31(12-14)6-5-25/h3-6,9-15,28H,7-8H2,1-2H3,(H,30,33);1-4,7-12H,5-6,25H2,(H,27,30).
What are the key properties of 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine?
2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 909.84 g/mol, XLogP of 9.64, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanamine;N-[2-[4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 158208911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).