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

C19H18FN7O — CID 155673001

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-c3ncc[nH]3)c2n1
InChIInChI=1S/C19H18FN7O/c1-28-19-13(9-12(20)10-23-19)15-3-2-7-26(15)16-4-8-27-18(25-16)14(11-24-27)17-21-5-6-22-17/h4-6,8-11,15H,2-3,7H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyMCPFXDPHXIQVDJ-OAHLLOKOSA-N
MW379.40 g/mol
LogP3.00
Rot. Bonds4

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

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 155673001) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID155673001
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-c3ncc[nH]3)c2n1
InChIInChI=1S/C19H18FN7O/c1-28-19-13(9-12(20)10-23-19)15-3-2-7-26(15)16-4-8-27-18(25-16)14(11-24-27)17-21-5-6-22-17/h4-6,8-11,15H,2-3,7H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyMCPFXDPHXIQVDJ-OAHLLOKOSA-N
XLogP3.00
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine (CID 155673001) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-c3ncc[nH]3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MCPFXDPHXIQVDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-28-19-13(9-12(20)10-23-19)15-3-2-7-26(15)16-4-8-27-18(25-16)14(11-24-27)17-21-5-6-22-17/h4-6,8-11,15H,2-3,7H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 379.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155673001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).