[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone

C26H41N5O2 — CID 166154643

IUPAC[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cc3nc(CC4CCCCC4)cc(C(C)C)n3n2)C(C)(C)C1
InChIInChI=1S/C26H41N5O2/c1-19(2)23-16-21(15-20-9-7-6-8-10-20)27-24-17-22(28-31(23)24)25(32)30-12-11-29(13-14-33-5)18-26(30,3)4/h16-17,19-20H,6-15,18H2,1-5H3
InChIKeyRQZWRUOJBDTBNV-UHFFFAOYSA-N
MW455.65 g/mol
LogP4.16
Rot. Bonds7

About [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone

[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone (PubChem CID 166154643) has the molecular formula C26H41N5O2 and a molecular weight of 455.65 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
PubChem CID166154643
Molecular FormulaC26H41N5O2
Molecular Weight455.65 g/mol
Exact Mass455.33
IUPAC Name[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cc3nc(CC4CCCCC4)cc(C(C)C)n3n2)C(C)(C)C1
InChIInChI=1S/C26H41N5O2/c1-19(2)23-16-21(15-20-9-7-6-8-10-20)27-24-17-22(28-31(23)24)25(32)30-12-11-29(13-14-33-5)18-26(30,3)4/h16-17,19-20H,6-15,18H2,1-5H3
InChIKeyRQZWRUOJBDTBNV-UHFFFAOYSA-N
XLogP4.16
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
The IUPAC name of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone (CID 166154643) is [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone is COCCN1CCN(C(=O)c2cc3nc(CC4CCCCC4)cc(C(C)C)n3n2)C(C)(C)C1.
What is the InChIKey of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
The InChIKey is RQZWRUOJBDTBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O2/c1-19(2)23-16-21(15-20-9-7-6-8-10-20)27-24-17-22(28-31(23)24)25(32)30-12-11-29(13-14-33-5)18-26(30,3)4/h16-17,19-20H,6-15,18H2,1-5H3.
What are the key properties of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone?
[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone has a molecular weight of 455.65 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-[4-(2-methoxyethyl)-2,2-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 166154643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).