4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C23H28N6O3S — CID 43039470

IUPAC4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C23H28N6O3S/c30-33(31,28-14-16-32-17-15-28)22-6-7-23(24-18-22)27-12-10-26(11-13-27)19-20-2-4-21(5-3-20)29-9-1-8-25-29/h1-9,18H,10-17,19H2
InChIKeyGQXRKFOXHHGHOM-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.61
Rot. Bonds6

About 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 43039470) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID43039470
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C23H28N6O3S/c30-33(31,28-14-16-32-17-15-28)22-6-7-23(24-18-22)27-12-10-26(11-13-27)19-20-2-4-21(5-3-20)29-9-1-8-25-29/h1-9,18H,10-17,19H2
InChIKeyGQXRKFOXHHGHOM-UHFFFAOYSA-N
XLogP1.61
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 43039484
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
CID 55627000
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 22109144
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 43039470) is 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is GQXRKFOXHHGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c30-33(31,28-14-16-32-17-15-28)22-6-7-23(24-18-22)27-12-10-26(11-13-27)19-20-2-4-21(5-3-20)29-9-1-8-25-29/h1-9,18H,10-17,19H2.
What are the key properties of 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 468.58 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 43039470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).