(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine

C22H33N5O — CID 118264141

IUPAC(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2ncc(C)cc2-n2ccc(C)n2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C22H33N5O/c1-16-13-20(27-12-9-17(2)25-27)22(23-14-16)26-11-10-19(21(15-26)28-3)24-18-7-5-4-6-8-18/h9,12-14,18-19,21,24H,4-8,10-11,15H2,1-3H3/t19-,21+/m1/s1
InChIKeyWKNTWDLCNNIPKD-CTNGQTDRSA-N
MW383.54 g/mol
LogP3.40
Rot. Bonds5

About (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine

(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 118264141) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID118264141
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2ncc(C)cc2-n2ccc(C)n2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C22H33N5O/c1-16-13-20(27-12-9-17(2)25-27)22(23-14-16)26-11-10-19(21(15-26)28-3)24-18-7-5-4-6-8-18/h9,12-14,18-19,21,24H,4-8,10-11,15H2,1-3H3/t19-,21+/m1/s1
InChIKeyWKNTWDLCNNIPKD-CTNGQTDRSA-N
XLogP3.40
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

compound 18e (PMID: 31670517)
CID 139600335
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
5-[4-(Morpholin-4-Ylmethyl)phenyl]-3-(1-Propan-2-Yl-1,2,3-Triazol-4-Yl)pyridin-2-Amine
CID 77106759
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
5-[4-(Aminomethyl)-1-piperidinyl]-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11568346
5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11575452
1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11647832
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11690391
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-yl)-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888560
1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl)-N5-(piperidin-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888595
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888597

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine (CID 118264141) is (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine is CO[C@H]1CN(c2ncc(C)cc2-n2ccc(C)n2)CC[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is WKNTWDLCNNIPKD-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16-13-20(27-12-9-17(2)25-27)22(23-14-16)26-11-10-19(21(15-26)28-3)24-18-7-5-4-6-8-18/h9,12-14,18-19,21,24H,4-8,10-11,15H2,1-3H3/t19-,21+/m1/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 383.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118264141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).