N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18ClFN4O2 — CID 126763765

IUPACN-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(Cl)cc4F)CCOCC3)cnn2c1
InChIInChI=1S/C19H18ClFN4O2/c1-12-9-22-17-14(10-23-25(17)11-12)18(26)24-19(4-6-27-7-5-19)15-3-2-13(20)8-16(15)21/h2-3,8-11H,4-7H2,1H3,(H,24,26)
InChIKeyPDQADTMGTGPGHE-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.27
Rot. Bonds3

About N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763765) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763765
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC NameN-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3(c4ccc(Cl)cc4F)CCOCC3)cnn2c1
InChIInChI=1S/C19H18ClFN4O2/c1-12-9-22-17-14(10-23-25(17)11-12)18(26)24-19(4-6-27-7-5-19)15-3-2-13(20)8-16(15)21/h2-3,8-11H,4-7H2,1H3,(H,24,26)
InChIKeyPDQADTMGTGPGHE-UHFFFAOYSA-N
XLogP3.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763765) is N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3(c4ccc(Cl)cc4F)CCOCC3)cnn2c1.
What is the InChIKey of N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PDQADTMGTGPGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-12-9-22-17-14(10-23-25(17)11-12)18(26)24-19(4-6-27-7-5-19)15-3-2-13(20)8-16(15)21/h2-3,8-11H,4-7H2,1H3,(H,24,26).
What are the key properties of N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.83 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-fluorophenyl)oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).