4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide

C24H27ClFN5O2 — CID 59152160

IUPAC4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C24H27ClFN5O2/c1-31(2)23(32)24(15-16-5-3-8-20(28-16)29-21-11-14-27-30-21)12-9-17(10-13-24)33-19-7-4-6-18(25)22(19)26/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H2,27,28,29,30)
InChIKeyJEBVYMGFQXBZPW-UHFFFAOYSA-N
MW471.96 g/mol
LogP4.98
Rot. Bonds7

About 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide

4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide (PubChem CID 59152160) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
PubChem CID59152160
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC Name4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1(Cc2cccc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C24H27ClFN5O2/c1-31(2)23(32)24(15-16-5-3-8-20(28-16)29-21-11-14-27-30-21)12-9-17(10-13-24)33-19-7-4-6-18(25)22(19)26/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H2,27,28,29,30)
InChIKeyJEBVYMGFQXBZPW-UHFFFAOYSA-N
XLogP4.98
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide (CID 59152160) is 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide is CN(C)C(=O)C1(Cc2cccc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is JEBVYMGFQXBZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O2/c1-31(2)23(32)24(15-16-5-3-8-20(28-16)29-21-11-14-27-30-21)12-9-17(10-13-24)33-19-7-4-6-18(25)22(19)26/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 471.96 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-N,N-dimethyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59152160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).