N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25FN6O2 — CID 66847824

IUPACN-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1
InChIInChI=1S/C21H25FN6O2/c1-21(2,3)26-19(29)15-12-24-28-9-7-17(25-18(15)28)27-8-5-6-16(27)14-10-13(22)11-23-20(14)30-4/h7,9-12,16H,5-6,8H2,1-4H3,(H,26,29)
InChIKeyACAZGFYJHFUFNU-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.14
Rot. Bonds4

About N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66847824) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66847824
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC NameN-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1
InChIInChI=1S/C21H25FN6O2/c1-21(2,3)26-19(29)15-12-24-28-9-7-17(25-18(15)28)27-8-5-6-16(27)14-10-13(22)11-23-20(14)30-4/h7,9-12,16H,5-6,8H2,1-4H3,(H,26,29)
InChIKeyACAZGFYJHFUFNU-UHFFFAOYSA-N
XLogP3.14
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66847824) is N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1.
What is the InChIKey of N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ACAZGFYJHFUFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-21(2,3)26-19(29)15-12-24-28-9-7-17(25-18(15)28)27-8-5-6-16(27)14-10-13(22)11-23-20(14)30-4/h7,9-12,16H,5-6,8H2,1-4H3,(H,26,29).
What are the key properties of N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66847824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).