(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid

C18H22N4O3 — CID 146343855

IUPAC(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCC1(C(=O)c2c[nH]c3nccc(N[C@@H]4CCCN(C(=O)O)C4)c23)CC1
InChIInChI=1S/C18H22N4O3/c1-18(5-6-18)15(23)12-9-20-16-14(12)13(4-7-19-16)21-11-3-2-8-22(10-11)17(24)25/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,24,25)(H2,19,20,21)/t11-/m1/s1
InChIKeyMMFAXNKUVMLANP-LLVKDONJSA-N
MW342.40 g/mol
LogP3.10
Rot. Bonds4

About (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid

(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 146343855) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID146343855
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
SMILESCC1(C(=O)c2c[nH]c3nccc(N[C@@H]4CCCN(C(=O)O)C4)c23)CC1
InChIInChI=1S/C18H22N4O3/c1-18(5-6-18)15(23)12-9-20-16-14(12)13(4-7-19-16)21-11-3-2-8-22(10-11)17(24)25/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,24,25)(H2,19,20,21)/t11-/m1/s1
InChIKeyMMFAXNKUVMLANP-LLVKDONJSA-N
XLogP3.10
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

1-[3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 146343844
(1-methylcyclopropyl)-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;hydrochloride
CID 146343769
1-[3-[[3-(cyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 146343865
tert-butyl (3R)-3-[[3-(cyclopentanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate
CID 146361942
(3R)-3-[[5-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 146343654
1-[3-[[3-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 86764958
(3R)-3-[[5-(oxolane-3-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 146343831
3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
CID 146343733
3-methoxy-1-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one;hydrochloride
CID 146343732
3-[[5-(3-phenoxyazetidine-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylic acid
CID 175497099
3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
CID 66759782
3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidine-1-carboxylic acid
CID 118116183

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid (CID 146343855) is (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid is CC1(C(=O)c2c[nH]c3nccc(N[C@@H]4CCCN(C(=O)O)C4)c23)CC1.
What is the InChIKey of (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is MMFAXNKUVMLANP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(5-6-18)15(23)12-9-20-16-14(12)13(4-7-19-16)21-11-3-2-8-22(10-11)17(24)25/h4,7,9,11H,2-3,5-6,8,10H2,1H3,(H,24,25)(H2,19,20,21)/t11-/m1/s1.
What are the key properties of (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid?
(3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(1-methylcyclopropanecarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 146343855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).