2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C19H23N7O3 — CID 137049707

IUPAC2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC(N3CCOCC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C19H23N7O3/c1-13-15(18(28)24-6-4-14(12-24)23-7-9-29-10-8-23)11-20-26(13)19-21-17(27)16-3-2-5-25(16)22-19/h2-3,5,11,14H,4,6-10,12H2,1H3,(H,21,22,27)
InChIKeyNRVPCUSGQKTWPZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP0.06
Rot. Bonds3

About 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 137049707) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID137049707
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(C(=O)N2CCC(N3CCOCC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
InChIInChI=1S/C19H23N7O3/c1-13-15(18(28)24-6-4-14(12-24)23-7-9-29-10-8-23)11-20-26(13)19-21-17(27)16-3-2-5-25(16)22-19/h2-3,5,11,14H,4,6-10,12H2,1H3,(H,21,22,27)
InChIKeyNRVPCUSGQKTWPZ-UHFFFAOYSA-N
XLogP0.06
TPSA100.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 137049707) is 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(C(=O)N2CCC(N3CCOCC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1.
What is the InChIKey of 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NRVPCUSGQKTWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-13-15(18(28)24-6-4-14(12-24)23-7-9-29-10-8-23)11-20-26(13)19-21-17(27)16-3-2-5-25(16)22-19/h2-3,5,11,14H,4,6-10,12H2,1H3,(H,21,22,27).
What are the key properties of 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 397.44 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 137049707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).