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

C22H20ClFN6 — CID 146661729

IUPAC1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine
SMILESNC1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C22H20ClFN6/c23-13-1-2-18(24)16(9-13)22-17(12-27-29-22)19-3-4-20-21(28-19)10-15(11-26-20)30-7-5-14(25)6-8-30/h1-4,9-12,14H,5-8,25H2,(H,27,29)
InChIKeyFOVOQGGCXVYRMP-UHFFFAOYSA-N
MW422.90 g/mol
LogP4.41
Rot. Bonds3

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

1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine (PubChem CID 146661729) has the molecular formula C22H20ClFN6 and a molecular weight of 422.90 g/mol. Its IUPAC name is 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine
PubChem CID146661729
Molecular FormulaC22H20ClFN6
Molecular Weight422.90 g/mol
Exact Mass422.14
IUPAC Name1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine
SMILESNC1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1
InChIInChI=1S/C22H20ClFN6/c23-13-1-2-18(24)16(9-13)22-17(12-27-29-22)19-3-4-20-21(28-19)10-15(11-26-20)30-7-5-14(25)6-8-30/h1-4,9-12,14H,5-8,25H2,(H,27,29)
InChIKeyFOVOQGGCXVYRMP-UHFFFAOYSA-N
XLogP4.41
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.90
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine (CID 146661729) is 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine is NC1CCN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CC1.
What is the InChIKey of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine?
The InChIKey is FOVOQGGCXVYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6/c23-13-1-2-18(24)16(9-13)22-17(12-27-29-22)19-3-4-20-21(28-19)10-15(11-26-20)30-7-5-14(25)6-8-30/h1-4,9-12,14H,5-8,25H2,(H,27,29).
What are the key properties of 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine?
1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine has a molecular weight of 422.90 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperidin-4-amine is sourced from PubChem (CID 146661729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).