cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate

C24H36N4O2 — CID 19601574

IUPACcyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
SMILESCC(C)N1CCC(c2c[nH]c3ccc(NC(=O)OC4CCCCCCC4)nc23)CC1
InChIInChI=1S/C24H36N4O2/c1-17(2)28-14-12-18(13-15-28)20-16-25-21-10-11-22(26-23(20)21)27-24(29)30-19-8-6-4-3-5-7-9-19/h10-11,16-19,25H,3-9,12-15H2,1-2H3,(H,26,27,29)
InChIKeyPDQFAZOHVDTZDD-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.81
Rot. Bonds4

About cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate

cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate (PubChem CID 19601574) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namecyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
PubChem CID19601574
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Namecyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate
SMILESCC(C)N1CCC(c2c[nH]c3ccc(NC(=O)OC4CCCCCCC4)nc23)CC1
InChIInChI=1S/C24H36N4O2/c1-17(2)28-14-12-18(13-15-28)20-16-25-21-10-11-22(26-23(20)21)27-24(29)30-19-8-6-4-3-5-7-9-19/h10-11,16-19,25H,3-9,12-15H2,1-2H3,(H,26,27,29)
InChIKeyPDQFAZOHVDTZDD-UHFFFAOYSA-N
XLogP5.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate with MolForge

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Related Compounds

1-ethyl-3-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea
CID 11808793
4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601454
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pentanamide
CID 10925076
2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 11035452
4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 10959868
1-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-prop-2-enylurea
CID 19601509
3,4-difluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601483
(E)-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]hex-3-enamide
CID 19601566
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzenesulfonamide
CID 11760896
N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-methylsulfonylbenzamide
CID 18969225
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
6-acetyl-8-cyclopentyl-5-methyl-2-[[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118856872

Frequently Asked Questions

What is the IUPAC name of cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
The IUPAC name of cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate (CID 19601574) is cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate.
What is the SMILES notation for cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
The canonical SMILES for cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate is CC(C)N1CCC(c2c[nH]c3ccc(NC(=O)OC4CCCCCCC4)nc23)CC1.
What is the InChIKey of cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
The InChIKey is PDQFAZOHVDTZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-17(2)28-14-12-18(13-15-28)20-16-25-21-10-11-22(26-23(20)21)27-24(29)30-19-8-6-4-3-5-7-9-19/h10-11,16-19,25H,3-9,12-15H2,1-2H3,(H,26,27,29).
What are the key properties of cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate?
cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate has a molecular weight of 412.58 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl N-[3-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 19601574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).