2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19FN8O3 — CID 134335678

IUPAC2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCn1cncc1-c1c(NC(=O)c2c(N)nn3cc(F)cnc23)cncc1OC
InChIInChI=1S/C19H19FN8O3/c1-30-4-3-27-10-23-7-13(27)15-12(6-22-8-14(15)31-2)25-19(29)16-17(21)26-28-9-11(20)5-24-18(16)28/h5-10H,3-4H2,1-2H3,(H2,21,26)(H,25,29)
InChIKeyJIUVELDIJBHURL-UHFFFAOYSA-N
MW426.41 g/mol
LogP1.62
Rot. Bonds7

About 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134335678) has the molecular formula C19H19FN8O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134335678
Molecular FormulaC19H19FN8O3
Molecular Weight426.41 g/mol
Exact Mass426.16
IUPAC Name2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCn1cncc1-c1c(NC(=O)c2c(N)nn3cc(F)cnc23)cncc1OC
InChIInChI=1S/C19H19FN8O3/c1-30-4-3-27-10-23-7-13(27)15-12(6-22-8-14(15)31-2)25-19(29)16-17(21)26-28-9-11(20)5-24-18(16)28/h5-10H,3-4H2,1-2H3,(H2,21,26)(H,25,29)
InChIKeyJIUVELDIJBHURL-UHFFFAOYSA-N
XLogP1.62
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134335678) is 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCn1cncc1-c1c(NC(=O)c2c(N)nn3cc(F)cnc23)cncc1OC.
What is the InChIKey of 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIUVELDIJBHURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O3/c1-30-4-3-27-10-23-7-13(27)15-12(6-22-8-14(15)31-2)25-19(29)16-17(21)26-28-9-11(20)5-24-18(16)28/h5-10H,3-4H2,1-2H3,(H2,21,26)(H,25,29).
What are the key properties of 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[5-methoxy-4-[3-(2-methoxyethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134335678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).