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

C22H23N9O2 — CID 24785026

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-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@H](O)CN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C22H23N9O2/c32-15-9-18(21(33)24-14-3-1-7-23-11-14)30(12-15)22-26-20(17-4-2-8-31(17)29-22)25-19-10-16(27-28-19)13-5-6-13/h1-4,7-8,10-11,13,15,18,32H,5-6,9,12H2,(H,24,33)(H2,25,26,27,28,29)/t15-,18-/m0/s1
InChIKeyDHYXAPHUMXDHHK-YJBOKZPZSA-N
MW445.49 g/mol
LogP2.05
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-pyridin-3-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-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 24785026) has the molecular formula C22H23N9O2 and a molecular weight of 445.49 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-pyridin-3-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-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID24785026
Molecular FormulaC22H23N9O2
Molecular Weight445.49 g/mol
Exact Mass445.20
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-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@H](O)CN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C22H23N9O2/c32-15-9-18(21(33)24-14-3-1-7-23-11-14)30(12-15)22-26-20(17-4-2-8-31(17)29-22)25-19-10-16(27-28-19)13-5-6-13/h1-4,7-8,10-11,13,15,18,32H,5-6,9,12H2,(H,24,33)(H2,25,26,27,28,29)/t15-,18-/m0/s1
InChIKeyDHYXAPHUMXDHHK-YJBOKZPZSA-N
XLogP2.05
TPSA136.36 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-pyridin-3-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-pyridin-3-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-pyridin-3-ylpyrrolidine-2-carboxamide (CID 24785026) 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-pyridin-3-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-pyridin-3-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-pyridin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnc1)[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-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is DHYXAPHUMXDHHK-YJBOKZPZSA-N. The full InChI is InChI=1S/C22H23N9O2/c32-15-9-18(21(33)24-14-3-1-7-23-11-14)30(12-15)22-26-20(17-4-2-8-31(17)29-22)25-19-10-16(27-28-19)13-5-6-13/h1-4,7-8,10-11,13,15,18,32H,5-6,9,12H2,(H,24,33)(H2,25,26,27,28,29)/t15-,18-/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-pyridin-3-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-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 4 hydrogen bond donors, and 9 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-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 24785026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).