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

C21H25FN6O2 — CID 68910902

IUPACN-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12
InChIInChI=1S/C21H25FN6O2/c1-21(2,3)26-20(30)15-11-24-28-8-6-18(25-19(15)28)27-7-4-5-17(27)14-9-13(22)10-23-16(14)12-29/h6,8-11,17,29H,4-5,7,12H2,1-3H3,(H,26,30)/t17-/m1/s1
InChIKeyRBUKDNPGCFVSTN-QGZVFWFLSA-N
MW412.47 g/mol
LogP2.63
Rot. Bonds4

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

N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68910902) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68910902
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC NameN-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12
InChIInChI=1S/C21H25FN6O2/c1-21(2,3)26-20(30)15-11-24-28-8-6-18(25-19(15)28)27-7-4-5-17(27)14-9-13(22)10-23-16(14)12-29/h6,8-11,17,29H,4-5,7,12H2,1-3H3,(H,26,30)/t17-/m1/s1
InChIKeyRBUKDNPGCFVSTN-QGZVFWFLSA-N
XLogP2.63
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68910902) is N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12.
What is the InChIKey of N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RBUKDNPGCFVSTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-21(2,3)26-20(30)15-11-24-28-8-6-18(25-19(15)28)27-7-4-5-17(27)14-9-13(22)10-23-16(14)12-29/h6,8-11,17,29H,4-5,7,12H2,1-3H3,(H,26,30)/t17-/m1/s1.
What are the key properties of N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(2R)-2-[5-fluoro-2-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68910902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).