N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide

C20H21N7OS — CID 143389847

IUPACN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(NC2=NC(Sc3ccc(NC(=O)C4CC4)cc3)Nn3cccc32)n[nH]1
InChIInChI=1S/C20H21N7OS/c1-12-11-17(25-24-12)22-18-16-3-2-10-27(16)26-20(23-18)29-15-8-6-14(7-9-15)21-19(28)13-4-5-13/h2-3,6-11,13,20,26H,4-5H2,1H3,(H,21,28)(H2,22,23,24,25)
InChIKeyVTGSDTHUENSSJP-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.36
Rot. Bonds5

About N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide

N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide (PubChem CID 143389847) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
PubChem CID143389847
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
SMILESCc1cc(NC2=NC(Sc3ccc(NC(=O)C4CC4)cc3)Nn3cccc32)n[nH]1
InChIInChI=1S/C20H21N7OS/c1-12-11-17(25-24-12)22-18-16-3-2-10-27(16)26-20(23-18)29-15-8-6-14(7-9-15)21-19(28)13-4-5-13/h2-3,6-11,13,20,26H,4-5H2,1H3,(H,21,28)(H2,22,23,24,25)
InChIKeyVTGSDTHUENSSJP-UHFFFAOYSA-N
XLogP3.36
TPSA99.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide (CID 143389847) is N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide is Cc1cc(NC2=NC(Sc3ccc(NC(=O)C4CC4)cc3)Nn3cccc32)n[nH]1.
What is the InChIKey of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The InChIKey is VTGSDTHUENSSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-12-11-17(25-24-12)22-18-16-3-2-10-27(16)26-20(23-18)29-15-8-6-14(7-9-15)21-19(28)13-4-5-13/h2-3,6-11,13,20,26H,4-5H2,1H3,(H,21,28)(H2,22,23,24,25).
What are the key properties of N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 143389847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).