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

C19H17F2N7O — CID 156770098

IUPAC6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1nc2c(-c3cnc[nH]3)cnn2cc1F
InChIInChI=1S/C19H17F2N7O/c1-29-19-12(5-11(20)6-23-19)16-3-2-4-27(16)18-14(21)9-28-17(26-18)13(7-25-28)15-8-22-10-24-15/h5-10,16H,2-4H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyRLGIMFKKAMMZRP-MRXNPFEDSA-N
MW397.39 g/mol
LogP3.14
Rot. Bonds4

About 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine

6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 156770098) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID156770098
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1nc2c(-c3cnc[nH]3)cnn2cc1F
InChIInChI=1S/C19H17F2N7O/c1-29-19-12(5-11(20)6-23-19)16-3-2-4-27(16)18-14(21)9-28-17(26-18)13(7-25-28)15-8-22-10-24-15/h5-10,16H,2-4H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyRLGIMFKKAMMZRP-MRXNPFEDSA-N
XLogP3.14
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[3-[4-[6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-imidazol-5-yl]propoxy]-dimethylsilane
CID 156770070
3-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 146612383
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
CID 158973617
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 175129299
ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86664565
ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 121395070
[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 67500802
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67471053
2-chloroethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 67471104
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501484
5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500752
tert-butyl N-[3-[[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl]carbamate
CID 66848072

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 156770098) is 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine is COc1ncc(F)cc1[C@H]1CCCN1c1nc2c(-c3cnc[nH]3)cnn2cc1F.
What is the InChIKey of 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RLGIMFKKAMMZRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-29-19-12(5-11(20)6-23-19)16-3-2-4-27(16)18-14(21)9-28-17(26-18)13(7-25-28)15-8-22-10-24-15/h5-10,16H,2-4H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine?
6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 397.39 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 6-fluoro-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 156770098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).