[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate

C19H28N4O3 — CID 123609179

IUPAC[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(CC1CCCN(c2ccnc3c2NC(=O)C3(C)C)C1)OC(N)=O
InChIInChI=1S/C19H28N4O3/c1-18(2,26-17(20)25)10-12-6-5-9-23(11-12)13-7-8-21-15-14(13)22-16(24)19(15,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H2,20,25)(H,22,24)
InChIKeyIQNIMINQCPAHMK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.79
Rot. Bonds4

About [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate

[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 123609179) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate
PubChem CID123609179
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(CC1CCCN(c2ccnc3c2NC(=O)C3(C)C)C1)OC(N)=O
InChIInChI=1S/C19H28N4O3/c1-18(2,26-17(20)25)10-12-6-5-9-23(11-12)13-7-8-21-15-14(13)22-16(24)19(15,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H2,20,25)(H,22,24)
InChIKeyIQNIMINQCPAHMK-UHFFFAOYSA-N
XLogP2.79
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate (CID 123609179) is [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate is CC(C)(CC1CCCN(c2ccnc3c2NC(=O)C3(C)C)C1)OC(N)=O.
What is the InChIKey of [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is IQNIMINQCPAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-18(2,26-17(20)25)10-12-6-5-9-23(11-12)13-7-8-21-15-14(13)22-16(24)19(15,3)4/h7-8,12H,5-6,9-11H2,1-4H3,(H2,20,25)(H,22,24).
What are the key properties of [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate?
[1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 360.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3,3-dimethyl-2-oxo-1H-pyrrolo[3,2-b]pyridin-7-yl)piperidin-3-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 123609179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).