(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

C25H26ClN5O2 — CID 44536123

IUPAC(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)c2n1
InChIInChI=1S/C25H26ClN5O2/c1-33-24-7-6-20-25(28-24)19(8-11-27-20)23(32)15-31-12-9-17(10-13-31)22-14-21(29-30-22)16-2-4-18(26)5-3-16/h2-8,11,14,17,23,32H,9-10,12-13,15H2,1H3,(H,29,30)/t23-/m0/s1
InChIKeyXVPGAXCBEONGHG-QHCPKHFHSA-N
MW463.97 g/mol
LogP4.59
Rot. Bonds6

About (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol

(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (PubChem CID 44536123) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
PubChem CID44536123
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)c2n1
InChIInChI=1S/C25H26ClN5O2/c1-33-24-7-6-20-25(28-24)19(8-11-27-20)23(32)15-31-12-9-17(10-13-31)22-14-21(29-30-22)16-2-4-18(26)5-3-16/h2-8,11,14,17,23,32H,9-10,12-13,15H2,1H3,(H,29,30)/t23-/m0/s1
InChIKeyXVPGAXCBEONGHG-QHCPKHFHSA-N
XLogP4.59
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The IUPAC name of (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol (CID 44536123) is (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The canonical SMILES for (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is COc1ccc2nccc([C@@H](O)CN3CCC(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)c2n1.
What is the InChIKey of (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
The InChIKey is XVPGAXCBEONGHG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-33-24-7-6-20-25(28-24)19(8-11-27-20)23(32)15-31-12-9-17(10-13-31)22-14-21(29-30-22)16-2-4-18(26)5-3-16/h2-8,11,14,17,23,32H,9-10,12-13,15H2,1H3,(H,29,30)/t23-/m0/s1.
What are the key properties of (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol?
(1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol has a molecular weight of 463.97 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol is sourced from PubChem (CID 44536123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).