N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide

C21H17F2N7O — CID 67330295

IUPACN-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12)c1cnccn1
InChIInChI=1S/C21H17F2N7O/c22-13-3-4-15(23)14(10-13)18-2-1-8-29(18)19-5-9-30-20(28-19)16(12-26-30)27-21(31)17-11-24-6-7-25-17/h3-7,9-12,18H,1-2,8H2,(H,27,31)
InChIKeyRKKFKBDFZXMCTJ-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.39
Rot. Bonds4

About N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide

N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide (PubChem CID 67330295) has the molecular formula C21H17F2N7O and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
PubChem CID67330295
Molecular FormulaC21H17F2N7O
Molecular Weight421.41 g/mol
Exact Mass421.15
IUPAC NameN-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12)c1cnccn1
InChIInChI=1S/C21H17F2N7O/c22-13-3-4-15(23)14(10-13)18-2-1-8-29(18)19-5-9-30-20(28-19)16(12-26-30)27-21(31)17-11-24-6-7-25-17/h3-7,9-12,18H,1-2,8H2,(H,27,31)
InChIKeyRKKFKBDFZXMCTJ-UHFFFAOYSA-N
XLogP3.39
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide (CID 67330295) is N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide is O=C(Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12)c1cnccn1.
What is the InChIKey of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is RKKFKBDFZXMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N7O/c22-13-3-4-15(23)14(10-13)18-2-1-8-29(18)19-5-9-30-20(28-19)16(12-26-30)27-21(31)17-11-24-6-7-25-17/h3-7,9-12,18H,1-2,8H2,(H,27,31).
What are the key properties of N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 421.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 67330295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).