5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26FN5O2 — CID 163409101

IUPAC5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CCC(NC(=O)c2cnn3ccc(N(C)Cc4cccc(F)c4)nc23)CC1
InChIInChI=1S/C22H26FN5O2/c1-27(14-15-4-3-5-16(23)12-15)20-10-11-28-21(26-20)19(13-24-28)22(29)25-17-6-8-18(30-2)9-7-17/h3-5,10-13,17-18H,6-9,14H2,1-2H3,(H,25,29)
InChIKeyBBJLSNHFJGYVEM-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.19
Rot. Bonds6

About 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163409101) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163409101
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC1CCC(NC(=O)c2cnn3ccc(N(C)Cc4cccc(F)c4)nc23)CC1
InChIInChI=1S/C22H26FN5O2/c1-27(14-15-4-3-5-16(23)12-15)20-10-11-28-21(26-20)19(13-24-28)22(29)25-17-6-8-18(30-2)9-7-17/h3-5,10-13,17-18H,6-9,14H2,1-2H3,(H,25,29)
InChIKeyBBJLSNHFJGYVEM-UHFFFAOYSA-N
XLogP3.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163409101) is 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COC1CCC(NC(=O)c2cnn3ccc(N(C)Cc4cccc(F)c4)nc23)CC1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BBJLSNHFJGYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-27(14-15-4-3-5-16(23)12-15)20-10-11-28-21(26-20)19(13-24-28)22(29)25-17-6-8-18(30-2)9-7-17/h3-5,10-13,17-18H,6-9,14H2,1-2H3,(H,25,29).
What are the key properties of 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl-methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163409101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).