N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine

C24H30N6O — CID 129315501

IUPACN-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CNC1CCCC1
InChIInChI=1S/C24H30N6O/c1-17-23(16-27-20-4-2-3-5-20)29-24(28-17)22-13-18(6-7-26-22)19-12-21(15-25-14-19)30-8-10-31-11-9-30/h6-7,12-15,20,27H,2-5,8-11,16H2,1H3,(H,28,29)
InChIKeyVCJKACRVFRAAQF-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.71
Rot. Bonds6

About N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine

N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine (PubChem CID 129315501) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine
PubChem CID129315501
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CNC1CCCC1
InChIInChI=1S/C24H30N6O/c1-17-23(16-27-20-4-2-3-5-20)29-24(28-17)22-13-18(6-7-26-22)19-12-21(15-25-14-19)30-8-10-31-11-9-30/h6-7,12-15,20,27H,2-5,8-11,16H2,1H3,(H,28,29)
InChIKeyVCJKACRVFRAAQF-UHFFFAOYSA-N
XLogP3.71
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine (CID 129315501) is N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CNC1CCCC1.
What is the InChIKey of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine?
The InChIKey is VCJKACRVFRAAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-23(16-27-20-4-2-3-5-20)29-24(28-17)22-13-18(6-7-26-22)19-12-21(15-25-14-19)30-8-10-31-11-9-30/h6-7,12-15,20,27H,2-5,8-11,16H2,1H3,(H,28,29).
What are the key properties of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine?
N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine has a molecular weight of 418.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]cyclopentanamine is sourced from PubChem (CID 129315501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).