1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine

C19H19FN8O — CID 156771478

IUPAC1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-n3ccnc3N)c2n1
InChIInChI=1S/C19H19FN8O/c1-29-18-13(9-12(20)10-23-18)14-3-2-6-26(14)16-4-7-28-17(25-16)15(11-24-28)27-8-5-22-19(27)21/h4-5,7-11,14H,2-3,6H2,1H3,(H2,21,22)/t14-/m1/s1
InChIKeyAPCYAHIBLDCHND-CQSZACIVSA-N
MW394.41 g/mol
LogP2.38
Rot. Bonds4

About 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine

1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine (PubChem CID 156771478) has the molecular formula C19H19FN8O and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine.

Molecular Properties

Compound Name1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine
PubChem CID156771478
Molecular FormulaC19H19FN8O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC Name1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-n3ccnc3N)c2n1
InChIInChI=1S/C19H19FN8O/c1-29-18-13(9-12(20)10-23-18)14-3-2-6-26(14)16-4-7-28-17(25-16)15(11-24-28)27-8-5-22-19(27)21/h4-5,7-11,14H,2-3,6H2,1H3,(H2,21,22)/t14-/m1/s1
InChIKeyAPCYAHIBLDCHND-CQSZACIVSA-N
XLogP2.38
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine?
The IUPAC name of 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine (CID 156771478) is 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine.
What is the SMILES notation for 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine?
The canonical SMILES for 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-n3ccnc3N)c2n1.
What is the InChIKey of 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine?
The InChIKey is APCYAHIBLDCHND-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-29-18-13(9-12(20)10-23-18)14-3-2-6-26(14)16-4-7-28-17(25-16)15(11-24-28)27-8-5-22-19(27)21/h4-5,7-11,14H,2-3,6H2,1H3,(H2,21,22)/t14-/m1/s1.
What are the key properties of 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine?
1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine has a molecular weight of 394.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine is sourced from PubChem (CID 156771478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).