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Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C19H22FN5O3 — CID 118265551

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N(Cc3cc(F)cnc3OC)C(C)C)nc12
InChIInChI=1S/C19H22FN5O3/c1-5-28-19(26)15-10-22-25-7-6-16(23-17(15)25)24(12(2)3)11-13-8-14(20)9-21-18(13)27-4/h6-10,12H,5,11H2,1-4H3
InChIKeyRUSXZVXBAVDHPO-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.86
Rot. Bonds7

About Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 118265551) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound NameEthyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID118265551
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Nameethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N(Cc3cc(F)cnc3OC)C(C)C)nc12
InChIInChI=1S/C19H22FN5O3/c1-5-28-19(26)15-10-22-25-7-6-16(23-17(15)25)24(12(2)3)11-13-8-14(20)9-21-18(13)27-4/h6-10,12H,5,11H2,1-4H3
InChIKeyRUSXZVXBAVDHPO-UHFFFAOYSA-N
XLogP2.86
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 118265551) is ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N(Cc3cc(F)cnc3OC)C(C)C)nc12.
What is the InChIKey of Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RUSXZVXBAVDHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-5-28-19(26)15-10-22-25-7-6-16(23-17(15)25)24(12(2)3)11-13-8-14(20)9-21-18(13)27-4/h6-10,12H,5,11H2,1-4H3.
What are the key properties of Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-[(5-fluoro-2-methoxy-3-pyridinyl)methyl-propan-2-ylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 118265551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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