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

C21H22ClFN6O2 — CID 24853231

IUPAC4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(Cc2cncc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C21H22ClFN6O2/c22-15-2-1-3-16(19(15)23)31-14-4-7-21(8-5-14,20(24)30)10-13-11-25-12-18(27-13)28-17-6-9-26-29-17/h1-3,6,9,11-12,14H,4-5,7-8,10H2,(H2,24,30)(H2,26,27,28,29)
InChIKeyZGCQIBQYASDQPM-UHFFFAOYSA-N
MW444.90 g/mol
LogP3.77
Rot. Bonds7

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

4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 24853231) has the molecular formula C21H22ClFN6O2 and a molecular weight of 444.90 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide
PubChem CID24853231
Molecular FormulaC21H22ClFN6O2
Molecular Weight444.90 g/mol
Exact Mass444.15
IUPAC Name4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(Cc2cncc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1
InChIInChI=1S/C21H22ClFN6O2/c22-15-2-1-3-16(19(15)23)31-14-4-7-21(8-5-14,20(24)30)10-13-11-25-12-18(27-13)28-17-6-9-26-29-17/h1-3,6,9,11-12,14H,4-5,7-8,10H2,(H2,24,30)(H2,26,27,28,29)
InChIKeyZGCQIBQYASDQPM-UHFFFAOYSA-N
XLogP3.77
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide (CID 24853231) is 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide is NC(=O)C1(Cc2cncc(Nc3ccn[nH]3)n2)CCC(Oc2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ZGCQIBQYASDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN6O2/c22-15-2-1-3-16(19(15)23)31-14-4-7-21(8-5-14,20(24)30)10-13-11-25-12-18(27-13)28-17-6-9-26-29-17/h1-3,6,9,11-12,14H,4-5,7-8,10H2,(H2,24,30)(H2,26,27,28,29).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide?
4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 444.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1H-pyrazol-5-ylamino)pyrazin-2-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 24853231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).