5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine

C22H28ClN7O — CID 157284026

IUPAC5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESNC1=NN=C(N2CCC(N3C[C@H](c4ccn[nH]4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H28ClN7O/c23-16-3-1-15(2-4-16)11-18-14-31-20(19-5-8-25-26-19)13-30(18)17-6-9-29(10-7-17)22-12-21(24)27-28-22/h1-5,8,17-18,20H,6-7,9-14H2,(H2,24,27)(H,25,26)/t18-,20+/m0/s1
InChIKeyHCCLRBUQOFBTBS-AZUAARDMSA-N
MW441.97 g/mol
LogP2.59
Rot. Bonds4

About 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine

5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine (PubChem CID 157284026) has the molecular formula C22H28ClN7O and a molecular weight of 441.97 g/mol. Its IUPAC name is 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
PubChem CID157284026
Molecular FormulaC22H28ClN7O
Molecular Weight441.97 g/mol
Exact Mass441.20
IUPAC Name5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
SMILESNC1=NN=C(N2CCC(N3C[C@H](c4ccn[nH]4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C22H28ClN7O/c23-16-3-1-15(2-4-16)11-18-14-31-20(19-5-8-25-26-19)13-30(18)17-6-9-29(10-7-17)22-12-21(24)27-28-22/h1-5,8,17-18,20H,6-7,9-14H2,(H2,24,27)(H,25,26)/t18-,20+/m0/s1
InChIKeyHCCLRBUQOFBTBS-AZUAARDMSA-N
XLogP2.59
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.97
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine with MolForge

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Related Compounds

5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
1-[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one
CID 148552003
[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 158284480
acetic acid;[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-(3-methylazetidin-1-yl)methanone
CID 158666507
acetic acid;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4,4-difluorobutan-1-one
CID 158383470
1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]-4-ethylsulfonylbutan-1-one
CID 157154424
1-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 161182588
5-[4-[2-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157061141
acetic acid;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 161242519
acetic acid;5-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159721797
5-[(3S)-4-[(2S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]-3-methoxypiperidin-1-yl]-4H-pyrazol-3-amine
CID 157061142

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The IUPAC name of 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine (CID 157284026) is 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The canonical SMILES for 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine is NC1=NN=C(N2CCC(N3C[C@H](c4ccn[nH]4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
The InChIKey is HCCLRBUQOFBTBS-AZUAARDMSA-N. The full InChI is InChI=1S/C22H28ClN7O/c23-16-3-1-15(2-4-16)11-18-14-31-20(19-5-8-25-26-19)13-30(18)17-6-9-29(10-7-17)22-12-21(24)27-28-22/h1-5,8,17-18,20H,6-7,9-14H2,(H2,24,27)(H,25,26)/t18-,20+/m0/s1.
What are the key properties of 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine?
5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine has a molecular weight of 441.97 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1H-pyrazol-5-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine is sourced from PubChem (CID 157284026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).