2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C19H21FN6O2 — CID 137049502

IUPAC2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC(F)C3)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C19H21FN6O2/c1-12-14(17(28)24-7-4-19(5-8-24)9-13(20)10-19)11-21-26(12)18-22-16(27)15-3-2-6-25(15)23-18/h2-3,6,11,13H,4-5,7-10H2,1H3,(H,22,23,27)
InChIKeyCJMIWOKCRBBNHY-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.87
Rot. Bonds2

About 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049502) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049502
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC3(CC2)CC(F)C3)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C19H21FN6O2/c1-12-14(17(28)24-7-4-19(5-8-24)9-13(20)10-19)11-21-26(12)18-22-16(27)15-3-2-6-25(15)23-18/h2-3,6,11,13H,4-5,7-10H2,1H3,(H,22,23,27)
InChIKeyCJMIWOKCRBBNHY-UHFFFAOYSA-N
XLogP1.87
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049502) is 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCC3(CC2)CC(F)C3)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is CJMIWOKCRBBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-12-14(17(28)24-7-4-19(5-8-24)9-13(20)10-19)11-21-26(12)18-22-16(27)15-3-2-6-25(15)23-18/h2-3,6,11,13H,4-5,7-10H2,1H3,(H,22,23,27).
What are the key properties of 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 384.42 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).