lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol

C19H24AlLiN4O3 — CID 158948491

IUPAClithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
SMILESCOC(=O)c1cc2cc(C)cnc2[nH]1.Cc1cnc2[nH]c(CO)cc2c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H10N2O2.C9H10N2O.Al.Li.4H/c1-6-3-7-4-8(10(13)14-2)12-9(7)11-5-6;1-6-2-7-3-8(5-12)11-9(7)10-4-6;;;;;;/h3-5H,1-2H3,(H,11,12);2-4,12H,5H2,1H3,(H,10,11);;;;;;/q;;;+1;;;;-1
InChIKeySBVFSPMBMYXIIW-UHFFFAOYSA-N
MW390.35 g/mol
LogP-1.05
Rot. Bonds2

About lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol

lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol (PubChem CID 158948491) has the molecular formula C19H24AlLiN4O3 and a molecular weight of 390.35 g/mol. Its IUPAC name is lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol.

Molecular Properties

Compound Namelithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
PubChem CID158948491
Molecular FormulaC19H24AlLiN4O3
Molecular Weight390.35 g/mol
Exact Mass390.18
IUPAC Namelithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
SMILESCOC(=O)c1cc2cc(C)cnc2[nH]1.Cc1cnc2[nH]c(CO)cc2c1.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H10N2O2.C9H10N2O.Al.Li.4H/c1-6-3-7-4-8(10(13)14-2)12-9(7)11-5-6;1-6-2-7-3-8(5-12)11-9(7)10-4-6;;;;;;/h3-5H,1-2H3,(H,11,12);2-4,12H,5H2,1H3,(H,10,11);;;;;;/q;;;+1;;;;-1
InChIKeySBVFSPMBMYXIIW-UHFFFAOYSA-N
XLogP-1.05
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol with MolForge

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Related Compounds

methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
ethyl 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57394913
methyl 4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carboxylate
CID 145993259
Butyl 4-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 135914614
Ethyl 4-phenyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 135914631
5-{5-Methyl-2-[(pyridin-4-ylmethyl)-carbamoyl]-3H-imidazol-4-yl}-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
CID 66989117
US8785489, ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-4-yl}-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
CID 66989565
methyl 5-(3H-benzimidazol-5-ylmethylamino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866004
methyl 5-[(6-methyl-1H-benzimidazol-5-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866006
methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866036
methyl 5-[(2-methylbenzoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 89891847

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
The IUPAC name of lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol (CID 158948491) is lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol.
What is the SMILES notation for lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
The canonical SMILES for lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol is COC(=O)c1cc2cc(C)cnc2[nH]1.Cc1cnc2[nH]c(CO)cc2c1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
The InChIKey is SBVFSPMBMYXIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C9H10N2O.Al.Li.4H/c1-6-3-7-4-8(10(13)14-2)12-9(7)11-5-6;1-6-2-7-3-8(5-12)11-9(7)10-4-6;;;;;;/h3-5H,1-2H3,(H,11,12);2-4,12H,5H2,1H3,(H,10,11);;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?
lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol has a molecular weight of 390.35 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;hydride;methyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol is sourced from PubChem (CID 158948491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).