6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine

C18H22N6 — CID 165156679

IUPAC6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
SMILESCN[C@@H]1CCCN(c2ccnc3[nH]cc(-c4ccc(N)cn4)c23)C1
InChIInChI=1S/C18H22N6/c1-20-13-3-2-8-24(11-13)16-6-7-21-18-17(16)14(10-23-18)15-5-4-12(19)9-22-15/h4-7,9-10,13,20H,2-3,8,11,19H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyZXRFSZTUPMVURE-CYBMUJFWSA-N
MW322.42 g/mol
LogP2.40
Rot. Bonds3

About 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine

6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine (PubChem CID 165156679) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
PubChem CID165156679
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
SMILESCN[C@@H]1CCCN(c2ccnc3[nH]cc(-c4ccc(N)cn4)c23)C1
InChIInChI=1S/C18H22N6/c1-20-13-3-2-8-24(11-13)16-6-7-21-18-17(16)14(10-23-18)15-5-4-12(19)9-22-15/h4-7,9-10,13,20H,2-3,8,11,19H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyZXRFSZTUPMVURE-CYBMUJFWSA-N
XLogP2.40
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine with MolForge

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Related Compounds

N-methyl-N'-[1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]ethane-1,2-diamine
CID 165156646
(3R)-N-ethyl-1-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine
CID 165156760
4-[4-(3-methylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 90783272
4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395795
N-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]propanamide
CID 123670359
(3S)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102218
(3R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-ol
CID 45102216
4-[4-[(3R)-3-methoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 45102583
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167612656
4-[(3S)-3-ethylpiperidin-1-yl]-3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 167687788
4-[4-[(3S)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
CID 167591577
4-[4-[(3R)-3-ethoxypyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395803

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
The IUPAC name of 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine (CID 165156679) is 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine is CN[C@@H]1CCCN(c2ccnc3[nH]cc(-c4ccc(N)cn4)c23)C1.
What is the InChIKey of 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
The InChIKey is ZXRFSZTUPMVURE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6/c1-20-13-3-2-8-24(11-13)16-6-7-21-18-17(16)14(10-23-18)15-5-4-12(19)9-22-15/h4-7,9-10,13,20H,2-3,8,11,19H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine has a molecular weight of 322.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3R)-3-(methylamino)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine is sourced from PubChem (CID 165156679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).