2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone

C23H27N5O — CID 11509352

IUPAC2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)N2CCc3ccccc32)C[C@@H]1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C23H27N5O/c1-16-9-13-27(23(29)28-14-10-17-5-3-4-6-19(17)28)15-21(16)26(2)20-8-12-25-22-18(20)7-11-24-22/h3-8,11-12,16,21H,9-10,13-15H2,1-2H3,(H,24,25)/t16-,21+/m1/s1
InChIKeyQAVPMHWRFRCMCD-IERDGZPVSA-N
MW389.50 g/mol
LogP3.89
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone

2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 11509352) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID11509352
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)N2CCc3ccccc32)C[C@@H]1N(C)c1ccnc2[nH]ccc12
InChIInChI=1S/C23H27N5O/c1-16-9-13-27(23(29)28-14-10-17-5-3-4-6-19(17)28)15-21(16)26(2)20-8-12-25-22-18(20)7-11-24-22/h3-8,11-12,16,21H,9-10,13-15H2,1-2H3,(H,24,25)/t16-,21+/m1/s1
InChIKeyQAVPMHWRFRCMCD-IERDGZPVSA-N
XLogP3.89
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone (CID 11509352) is 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone is C[C@@H]1CCN(C(=O)N2CCc3ccccc32)C[C@@H]1N(C)c1ccnc2[nH]ccc12.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is QAVPMHWRFRCMCD-IERDGZPVSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-9-13-27(23(29)28-14-10-17-5-3-4-6-19(17)28)15-21(16)26(2)20-8-12-25-22-18(20)7-11-24-22/h3-8,11-12,16,21H,9-10,13-15H2,1-2H3,(H,24,25)/t16-,21+/m1/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone?
2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3R,4R)-4-methyl-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 11509352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).