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

C22H24N10O — CID 66971451

IUPAC(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2cnccn2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1
InChIInChI=1S/C22H24N10O/c1-22(19(33)25-17-13-23-8-9-24-17)7-3-11-32(22)21-27-18-4-2-10-31(18)20(28-21)26-16-12-15(29-30-16)14-5-6-14/h2,4,8-10,12-14H,3,5-7,11H2,1H3,(H,24,25,33)(H2,26,27,28,29,30)/t22-/m0/s1
InChIKeyDQJNIOLHMYIIIT-QFIPXVFZSA-N
MW444.50 g/mol
LogP2.86
Rot. Bonds6

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

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 66971451) has the molecular formula C22H24N10O and a molecular weight of 444.50 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID66971451
Molecular FormulaC22H24N10O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2cnccn2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1
InChIInChI=1S/C22H24N10O/c1-22(19(33)25-17-13-23-8-9-24-17)7-3-11-32(22)21-27-18-4-2-10-31(18)20(28-21)26-16-12-15(29-30-16)14-5-6-14/h2,4,8-10,12-14H,3,5-7,11H2,1H3,(H,24,25,33)(H2,26,27,28,29,30)/t22-/m0/s1
InChIKeyDQJNIOLHMYIIIT-QFIPXVFZSA-N
XLogP2.86
TPSA129.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 66971451) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide is C[C@@]1(C(=O)Nc2cnccn2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)n2cccc2n1.
What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is DQJNIOLHMYIIIT-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N10O/c1-22(19(33)25-17-13-23-8-9-24-17)7-3-11-32(22)21-27-18-4-2-10-31(18)20(28-21)26-16-12-15(29-30-16)14-5-6-14/h2,4,8-10,12-14H,3,5-7,11H2,1H3,(H,24,25,33)(H2,26,27,28,29,30)/t22-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66971451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).