5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H19F2N5O2 — CID 59460912

IUPAC5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC[C@H](NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12)c1ccccc1
InChIInChI=1S/C23H19F2N5O2/c1-14(16-5-3-2-4-6-16)28-23(32)20-12-19(29-21-9-10-27-30(20)21)22(31)26-13-15-7-8-17(24)18(25)11-15/h2-12,14H,13H2,1H3,(H,26,31)(H,28,32)/t14-/m0/s1
InChIKeySEQZLDHEQPPVBG-AWEZNQCLSA-N
MW435.43 g/mol
LogP3.43
Rot. Bonds6

About 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59460912) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59460912
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESC[C@H](NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12)c1ccccc1
InChIInChI=1S/C23H19F2N5O2/c1-14(16-5-3-2-4-6-16)28-23(32)20-12-19(29-21-9-10-27-30(20)21)22(31)26-13-15-7-8-17(24)18(25)11-15/h2-12,14H,13H2,1H3,(H,26,31)(H,28,32)/t14-/m0/s1
InChIKeySEQZLDHEQPPVBG-AWEZNQCLSA-N
XLogP3.43
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59460912) is 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C[C@H](NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2ccnn12)c1ccccc1.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is SEQZLDHEQPPVBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-14(16-5-3-2-4-6-16)28-23(32)20-12-19(29-21-9-10-27-30(20)21)22(31)26-13-15-7-8-17(24)18(25)11-15/h2-12,14H,13H2,1H3,(H,26,31)(H,28,32)/t14-/m0/s1.
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 435.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-7-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59460912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).