3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide

C22H24N10O2 — CID 58277746

IUPAC3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESC[C@@]1(C(=O)Cc2ccc(N)nc2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2n1
InChIInChI=1S/C22H24N10O2/c1-22(16(33)10-13-5-6-17(23)25-12-13)7-3-8-31(22)21-27-20(15-4-2-9-32(15)30-21)26-18-11-14(19(24)34)28-29-18/h2,4-6,9,11-12H,3,7-8,10H2,1H3,(H2,23,25)(H2,24,34)(H2,26,27,28,29,30)/t22-/m0/s1
InChIKeySBXVHADJYAUOFD-QFIPXVFZSA-N
MW460.50 g/mol
LogP1.44
Rot. Bonds7

About 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide

3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 58277746) has the molecular formula C22H24N10O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
PubChem CID58277746
Molecular FormulaC22H24N10O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESC[C@@]1(C(=O)Cc2ccc(N)nc2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2n1
InChIInChI=1S/C22H24N10O2/c1-22(16(33)10-13-5-6-17(23)25-12-13)7-3-8-31(22)21-27-20(15-4-2-9-32(15)30-21)26-18-11-14(19(24)34)28-29-18/h2,4-6,9,11-12H,3,7-8,10H2,1H3,(H2,23,25)(H2,24,34)(H2,26,27,28,29,30)/t22-/m0/s1
InChIKeySBXVHADJYAUOFD-QFIPXVFZSA-N
XLogP1.44
TPSA173.21 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

(2S)-2-methyl-1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 90243337
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2,6-dichloro-3-pyridinyl)ethanone
CID 58277607
2-(5-chloro-1,3-thiazol-2-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone
CID 58277740
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 58277682
2-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]ethanone
CID 58277598
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 161379547
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-(2-ethylpyrazol-3-yl)ethanone
CID 147430472
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methylpyrrolidine-2-carboxamide
CID 24785538
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidin-2-yl]-2-piperidin-3-ylethanone
CID 58277678
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 24785537
3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 66971775
acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide
CID 143606577

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide (CID 58277746) is 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide is C[C@@]1(C(=O)Cc2ccc(N)nc2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2n1.
What is the InChIKey of 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is SBXVHADJYAUOFD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N10O2/c1-22(16(33)10-13-5-6-17(23)25-12-13)7-3-8-31(22)21-27-20(15-4-2-9-32(15)30-21)26-18-11-14(19(24)34)28-29-18/h2,4-6,9,11-12H,3,7-8,10H2,1H3,(H2,23,25)(H2,24,34)(H2,26,27,28,29,30)/t22-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58277746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).