N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C23H30N4O2 — CID 154633331

IUPACN-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESCCCCC(=O)N1C2CCC1CC(c1cc(N(C=O)C3CC3)nc3[nH]ccc13)C2
InChIInChI=1S/C23H30N4O2/c1-2-3-4-22(29)27-17-7-8-18(27)12-15(11-17)20-13-21(26(14-28)16-5-6-16)25-23-19(20)9-10-24-23/h9-10,13-18H,2-8,11-12H2,1H3,(H,24,25)
InChIKeyLJKCZQURDDBKEX-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.12
Rot. Bonds7

About N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 154633331) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
PubChem CID154633331
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESCCCCC(=O)N1C2CCC1CC(c1cc(N(C=O)C3CC3)nc3[nH]ccc13)C2
InChIInChI=1S/C23H30N4O2/c1-2-3-4-22(29)27-17-7-8-18(27)12-15(11-17)20-13-21(26(14-28)16-5-6-16)25-23-19(20)9-10-24-23/h9-10,13-18H,2-8,11-12H2,1H3,(H,24,25)
InChIKeyLJKCZQURDDBKEX-UHFFFAOYSA-N
XLogP4.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 154633331) is N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is CCCCC(=O)N1C2CCC1CC(c1cc(N(C=O)C3CC3)nc3[nH]ccc13)C2.
What is the InChIKey of N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is LJKCZQURDDBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-2-3-4-22(29)27-17-7-8-18(27)12-15(11-17)20-13-21(26(14-28)16-5-6-16)25-23-19(20)9-10-24-23/h9-10,13-18H,2-8,11-12H2,1H3,(H,24,25).
What are the key properties of N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 394.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(8-pentanoyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 154633331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).