N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23F2N5O2 — CID 58063167

IUPACN-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C21H23F2N5O2/c1-30-17-5-3-2-4-14(17)12-24-18-8-11-28-19(27-18)16(13-25-28)20(29)26-15-6-9-21(22,23)10-7-15/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,24,27)(H,26,29)
InChIKeyMUHMNQHFFIAUMU-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.66
Rot. Bonds6

About N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063167) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063167
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC NameN-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccccc1CNc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C21H23F2N5O2/c1-30-17-5-3-2-4-14(17)12-24-18-8-11-28-19(27-18)16(13-25-28)20(29)26-15-6-9-21(22,23)10-7-15/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,24,27)(H,26,29)
InChIKeyMUHMNQHFFIAUMU-UHFFFAOYSA-N
XLogP3.66
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063167) is N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccccc1CNc1ccn2ncc(C(=O)NC3CCC(F)(F)CC3)c2n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MUHMNQHFFIAUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-30-17-5-3-2-4-14(17)12-24-18-8-11-28-19(27-18)16(13-25-28)20(29)26-15-6-9-21(22,23)10-7-15/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,24,27)(H,26,29).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-[(2-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).