N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine

C22H27N5 — CID 70809405

IUPACN-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine
SMILESCc1nc2nccc(C3Cc4cc(CN(C)C5CCCC5)ccc4N3)c2[nH]1
InChIInChI=1S/C22H27N5/c1-14-24-21-18(9-10-23-22(21)25-14)20-12-16-11-15(7-8-19(16)26-20)13-27(2)17-5-3-4-6-17/h7-11,17,20,26H,3-6,12-13H2,1-2H3,(H,23,24,25)
InChIKeyYRYCIPOUSZAEPU-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine

N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine (PubChem CID 70809405) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine
PubChem CID70809405
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine
SMILESCc1nc2nccc(C3Cc4cc(CN(C)C5CCCC5)ccc4N3)c2[nH]1
InChIInChI=1S/C22H27N5/c1-14-24-21-18(9-10-23-22(21)25-14)20-12-16-11-15(7-8-19(16)26-20)13-27(2)17-5-3-4-6-17/h7-11,17,20,26H,3-6,12-13H2,1-2H3,(H,23,24,25)
InChIKeyYRYCIPOUSZAEPU-UHFFFAOYSA-N
XLogP4.35
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine (CID 70809405) is N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine is Cc1nc2nccc(C3Cc4cc(CN(C)C5CCCC5)ccc4N3)c2[nH]1.
What is the InChIKey of N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine?
The InChIKey is YRYCIPOUSZAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-14-24-21-18(9-10-23-22(21)25-14)20-12-16-11-15(7-8-19(16)26-20)13-27(2)17-5-3-4-6-17/h7-11,17,20,26H,3-6,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine?
N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine has a molecular weight of 361.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydro-1H-indol-5-yl]methyl]cyclopentanamine is sourced from PubChem (CID 70809405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).