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

C23H25ClFN5O2 — CID 59152223

IUPAC4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1(Cc2cccc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C23H25ClFN5O2/c1-26-22(31)23(14-15-4-2-7-19(28-15)29-20-10-13-27-30-20)11-8-16(9-12-23)32-18-6-3-5-17(24)21(18)25/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,26,31)(H2,27,28,29,30)
InChIKeyCXMNHDRTFZMUBC-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.64
Rot. Bonds7

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

4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide (PubChem CID 59152223) has the molecular formula C23H25ClFN5O2 and a molecular weight of 457.94 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
PubChem CID59152223
Molecular FormulaC23H25ClFN5O2
Molecular Weight457.94 g/mol
Exact Mass457.17
IUPAC Name4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCNC(=O)C1(Cc2cccc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C23H25ClFN5O2/c1-26-22(31)23(14-15-4-2-7-19(28-15)29-20-10-13-27-30-20)11-8-16(9-12-23)32-18-6-3-5-17(24)21(18)25/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,26,31)(H2,27,28,29,30)
InChIKeyCXMNHDRTFZMUBC-UHFFFAOYSA-N
XLogP4.64
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide (CID 59152223) is 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide is CNC(=O)C1(Cc2cccc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is CXMNHDRTFZMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O2/c1-26-22(31)23(14-15-4-2-7-19(28-15)29-20-10-13-27-30-20)11-8-16(9-12-23)32-18-6-3-5-17(24)21(18)25/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,26,31)(H2,27,28,29,30).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide?
4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 457.94 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-N-methyl-1-[[6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59152223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).