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

C22H28N6O — CID 129315518

IUPACN-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CNC(C)C
InChIInChI=1S/C22H28N6O/c1-15(2)25-14-21-16(3)26-22(27-21)20-11-17(4-5-24-20)18-10-19(13-23-12-18)28-6-8-29-9-7-28/h4-5,10-13,15,25H,6-9,14H2,1-3H3,(H,26,27)
InChIKeyGPEPBKZPHYNULJ-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.18
Rot. Bonds6

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

N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine (PubChem CID 129315518) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine
PubChem CID129315518
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CNC(C)C
InChIInChI=1S/C22H28N6O/c1-15(2)25-14-21-16(3)26-22(27-21)20-11-17(4-5-24-20)18-10-19(13-23-12-18)28-6-8-29-9-7-28/h4-5,10-13,15,25H,6-9,14H2,1-3H3,(H,26,27)
InChIKeyGPEPBKZPHYNULJ-UHFFFAOYSA-N
XLogP3.18
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

Ceralasertib
CID 121596701
Ngd 94-1
CID 188942
SB-242235
CID 9863367
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-(4-(4-Fluorophenyl)-1-(3-morpholinopropyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 9800117
SB-210313
CID 9885504
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936

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]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine (CID 129315518) is N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CNC(C)C.
What is the InChIKey of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is GPEPBKZPHYNULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15(2)25-14-21-16(3)26-22(27-21)20-11-17(4-5-24-20)18-10-19(13-23-12-18)28-6-8-29-9-7-28/h4-5,10-13,15,25H,6-9,14H2,1-3H3,(H,26,27).
What are the key properties of N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine?
N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 392.51 g/mol, XLogP of 3.18, 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]propan-2-amine is sourced from PubChem (CID 129315518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).