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

C21H22N10O2 — CID 24784543

IUPAC(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@H](O)CN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C21H22N10O2/c32-13-8-16(20(33)25-18-10-22-5-6-23-18)30(11-13)21-26-19(15-2-1-7-31(15)29-21)24-17-9-14(27-28-17)12-3-4-12/h1-2,5-7,9-10,12-13,16,32H,3-4,8,11H2,(H,23,25,33)(H2,24,26,27,28,29)/t13-,16-/m0/s1
InChIKeyMNFUUERMGYISEA-BBRMVZONSA-N
MW446.48 g/mol
LogP1.44
Rot. Bonds6

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

(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 24784543) has the molecular formula C21H22N10O2 and a molecular weight of 446.48 g/mol. Its IUPAC name is (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID24784543
Molecular FormulaC21H22N10O2
Molecular Weight446.48 g/mol
Exact Mass446.19
IUPAC Name(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@H](O)CN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C21H22N10O2/c32-13-8-16(20(33)25-18-10-22-5-6-23-18)30(11-13)21-26-19(15-2-1-7-31(15)29-21)24-17-9-14(27-28-17)12-3-4-12/h1-2,5-7,9-10,12-13,16,32H,3-4,8,11H2,(H,23,25,33)(H2,24,26,27,28,29)/t13-,16-/m0/s1
InChIKeyMNFUUERMGYISEA-BBRMVZONSA-N
XLogP1.44
TPSA149.25 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 24784543) is (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide is O=C(Nc1cnccn1)[C@@H]1C[C@H](O)CN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1.
What is the InChIKey of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is MNFUUERMGYISEA-BBRMVZONSA-N. The full InChI is InChI=1S/C21H22N10O2/c32-13-8-16(20(33)25-18-10-22-5-6-23-18)30(11-13)21-26-19(15-2-1-7-31(15)29-21)24-17-9-14(27-28-17)12-3-4-12/h1-2,5-7,9-10,12-13,16,32H,3-4,8,11H2,(H,23,25,33)(H2,24,26,27,28,29)/t13-,16-/m0/s1.
What are the key properties of (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-hydroxy-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24784543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).