2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide

C22H21N9O — CID 59313683

IUPAC2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide
SMILESO=C(Nc1cnccn1)C1=C(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CCC1
InChIInChI=1S/C22H21N9O/c32-22(26-19-12-23-8-9-24-19)15-4-1-3-14(15)20-27-21(17-5-2-10-31(17)30-20)25-18-11-16(28-29-18)13-6-7-13/h2,5,8-13H,1,3-4,6-7H2,(H,24,26,32)(H2,25,27,28,29,30)
InChIKeyFFQMTMJBCSWGNO-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide

2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide (PubChem CID 59313683) has the molecular formula C22H21N9O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide
PubChem CID59313683
Molecular FormulaC22H21N9O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide
SMILESO=C(Nc1cnccn1)C1=C(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CCC1
InChIInChI=1S/C22H21N9O/c32-22(26-19-12-23-8-9-24-19)15-4-1-3-14(15)20-27-21(17-5-2-10-31(17)30-20)25-18-11-16(28-29-18)13-6-7-13/h2,5,8-13H,1,3-4,6-7H2,(H,24,26,32)(H2,25,27,28,29,30)
InChIKeyFFQMTMJBCSWGNO-UHFFFAOYSA-N
XLogP3.44
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide?
The IUPAC name of 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide (CID 59313683) is 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide.
What is the SMILES notation for 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide?
The canonical SMILES for 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide is O=C(Nc1cnccn1)C1=C(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CCC1.
What is the InChIKey of 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide?
The InChIKey is FFQMTMJBCSWGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O/c32-22(26-19-12-23-8-9-24-19)15-4-1-3-14(15)20-27-21(17-5-2-10-31(17)30-20)25-18-11-16(28-29-18)13-6-7-13/h2,5,8-13H,1,3-4,6-7H2,(H,24,26,32)(H2,25,27,28,29,30).
What are the key properties of 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide?
2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylcyclopentene-1-carboxamide is sourced from PubChem (CID 59313683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).