6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine

C26H22ClFN8 — CID 146661908

IUPAC6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Nc3ccc(N4CCNCC4)cn3)cc2n1
InChIInChI=1S/C26H22ClFN8/c27-16-1-3-21(28)19(11-16)26-20(15-32-35-26)22-4-5-23-24(34-22)12-17(13-30-23)33-25-6-2-18(14-31-25)36-9-7-29-8-10-36/h1-6,11-15,29H,7-10H2,(H,31,33)(H,32,35)
InChIKeyJJKPEJWOHQSNFH-UHFFFAOYSA-N
MW500.97 g/mol
LogP5.03
Rot. Bonds5

About 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine

6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine (PubChem CID 146661908) has the molecular formula C26H22ClFN8 and a molecular weight of 500.97 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine
PubChem CID146661908
Molecular FormulaC26H22ClFN8
Molecular Weight500.97 g/mol
Exact Mass500.16
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Nc3ccc(N4CCNCC4)cn3)cc2n1
InChIInChI=1S/C26H22ClFN8/c27-16-1-3-21(28)19(11-16)26-20(15-32-35-26)22-4-5-23-24(34-22)12-17(13-30-23)33-25-6-2-18(14-31-25)36-9-7-29-8-10-36/h1-6,11-15,29H,7-10H2,(H,31,33)(H,32,35)
InChIKeyJJKPEJWOHQSNFH-UHFFFAOYSA-N
XLogP5.03
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.97
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine (CID 146661908) is 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(Nc3ccc(N4CCNCC4)cn3)cc2n1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?
The InChIKey is JJKPEJWOHQSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN8/c27-16-1-3-21(28)19(11-16)26-20(15-32-35-26)22-4-5-23-24(34-22)12-17(13-30-23)33-25-6-2-18(14-31-25)36-9-7-29-8-10-36/h1-6,11-15,29H,7-10H2,(H,31,33)(H,32,35).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine has a molecular weight of 500.97 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146661908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).