N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20F3N7O3 — CID 70497311

IUPACN-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1nn(CC(=O)N2CCC(F)(F)C2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C23H20F3N7O3/c1-36-18-4-3-14(24)9-15(18)20-17(29-22(35)16-10-28-33-7-2-6-27-21(16)33)11-32(30-20)12-19(34)31-8-5-23(25,26)13-31/h2-4,6-7,9-11H,5,8,12-13H2,1H3,(H,29,35)
InChIKeyKEJCSTMPNRBFSE-UHFFFAOYSA-N
MW499.45 g/mol
LogP2.86
Rot. Bonds6

About N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497311) has the molecular formula C23H20F3N7O3 and a molecular weight of 499.45 g/mol. Its IUPAC name is N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497311
Molecular FormulaC23H20F3N7O3
Molecular Weight499.45 g/mol
Exact Mass499.16
IUPAC NameN-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1nn(CC(=O)N2CCC(F)(F)C2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C23H20F3N7O3/c1-36-18-4-3-14(24)9-15(18)20-17(29-22(35)16-10-28-33-7-2-6-27-21(16)33)11-32(30-20)12-19(34)31-8-5-23(25,26)13-31/h2-4,6-7,9-11H,5,8,12-13H2,1H3,(H,29,35)
InChIKeyKEJCSTMPNRBFSE-UHFFFAOYSA-N
XLogP2.86
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497311) is N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(F)cc1-c1nn(CC(=O)N2CCC(F)(F)C2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KEJCSTMPNRBFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O3/c1-36-18-4-3-14(24)9-15(18)20-17(29-22(35)16-10-28-33-7-2-6-27-21(16)33)11-32(30-20)12-19(34)31-8-5-23(25,26)13-31/h2-4,6-7,9-11H,5,8,12-13H2,1H3,(H,29,35).
What are the key properties of N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 499.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).