2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H22ClN7O2 — CID 71288387

IUPAC2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C24H22ClN7O2/c1-14(13-34-2)29-24(33)18-10-27-23-22(18)30-19(11-28-23)21-17-6-5-16(25)8-20(17)32(31-21)12-15-4-3-7-26-9-15/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1
InChIKeyMHYQJNRMYFEFSY-AWEZNQCLSA-N
MW475.94 g/mol
LogP3.84
Rot. Bonds7

About 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288387) has the molecular formula C24H22ClN7O2 and a molecular weight of 475.94 g/mol. Its IUPAC name is 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288387
Molecular FormulaC24H22ClN7O2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC Name2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C24H22ClN7O2/c1-14(13-34-2)29-24(33)18-10-27-23-22(18)30-19(11-28-23)21-17-6-5-16(25)8-20(17)32(31-21)12-15-4-3-7-26-9-15/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1
InChIKeyMHYQJNRMYFEFSY-AWEZNQCLSA-N
XLogP3.84
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286084
2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288512
2-(6-chloro-1-methylindol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288693
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288724
US10774086, Example 17
CID 134551553
US10774086, Example 18
CID 134551945
(2-Chloro-4-{[6-Cyclopropyl-3-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyrazin-8-Yl]amino}phenyl)(Morpholin-4-Yl)methanone
CID 56672549
NNMT inhibitor 14 [PMID: 35904556]
CID 164946746
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-morpholin-4-yl-methanone
CID 11689242

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288387) is 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MHYQJNRMYFEFSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c1-14(13-34-2)29-24(33)18-10-27-23-22(18)30-19(11-28-23)21-17-6-5-16(25)8-20(17)32(31-21)12-15-4-3-7-26-9-15/h3-11,14H,12-13H2,1-2H3,(H,27,28)(H,29,33)/t14-/m0/s1.
What are the key properties of 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(pyridin-3-ylmethyl)indazol-3-yl]-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).