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

C23H28N6O2 — CID 129315520

IUPAC(3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CN[C@H]1CCOC1
InChIInChI=1S/C23H28N6O2/c1-16-22(14-26-19-3-7-31-15-19)28-23(27-16)21-11-17(2-4-25-21)18-10-20(13-24-12-18)29-5-8-30-9-6-29/h2,4,10-13,19,26H,3,5-9,14-15H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyFKNOQTXDFGXNNC-IBGZPJMESA-N
MW420.52 g/mol
LogP2.56
Rot. Bonds6

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

(3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine (PubChem CID 129315520) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine
PubChem CID129315520
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name(3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CN[C@H]1CCOC1
InChIInChI=1S/C23H28N6O2/c1-16-22(14-26-19-3-7-31-15-19)28-23(27-16)21-11-17(2-4-25-21)18-10-20(13-24-12-18)29-5-8-30-9-6-29/h2,4,10-13,19,26H,3,5-9,14-15H2,1H3,(H,27,28)/t19-/m0/s1
InChIKeyFKNOQTXDFGXNNC-IBGZPJMESA-N
XLogP2.56
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine (CID 129315520) is (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CN[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine?
The InChIKey is FKNOQTXDFGXNNC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-22(14-26-19-3-7-31-15-19)28-23(27-16)21-11-17(2-4-25-21)18-10-20(13-24-12-18)29-5-8-30-9-6-29/h2,4,10-13,19,26H,3,5-9,14-15H2,1H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine?
(3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine has a molecular weight of 420.52 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 129315520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).