2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C21H24ClN5O — CID 164902194

IUPAC2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESClc1cc2c(NCC34CC(COC5CCn6ccnc6C5)(C3)C4)ccnc2[nH]1
InChIInChI=1S/C21H24ClN5O/c22-17-8-15-16(1-3-24-19(15)26-17)25-12-20-9-21(10-20,11-20)13-28-14-2-5-27-6-4-23-18(27)7-14/h1,3-4,6,8,14H,2,5,7,9-13H2,(H2,24,25,26)
InChIKeySLMLRIQQWJVVMJ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.03
Rot. Bonds6

About 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 164902194) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID164902194
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESClc1cc2c(NCC34CC(COC5CCn6ccnc6C5)(C3)C4)ccnc2[nH]1
InChIInChI=1S/C21H24ClN5O/c22-17-8-15-16(1-3-24-19(15)26-17)25-12-20-9-21(10-20,11-20)13-28-14-2-5-27-6-4-23-18(27)7-14/h1,3-4,6,8,14H,2,5,7,9-13H2,(H2,24,25,26)
InChIKeySLMLRIQQWJVVMJ-UHFFFAOYSA-N
XLogP4.03
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 164902194) is 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is Clc1cc2c(NCC34CC(COC5CCn6ccnc6C5)(C3)C4)ccnc2[nH]1.
What is the InChIKey of 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is SLMLRIQQWJVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c22-17-8-15-16(1-3-24-19(15)26-17)25-12-20-9-21(10-20,11-20)13-28-14-2-5-27-6-4-23-18(27)7-14/h1,3-4,6,8,14H,2,5,7,9-13H2,(H2,24,25,26).
What are the key properties of 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 397.91 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yloxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 164902194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).