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

C23H26N6O3 — CID 129315637

IUPAC5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C23H26N6O3/c1-15-21(23(30)27-18-3-7-32-14-18)28-22(26-15)20-11-16(2-4-25-20)17-10-19(13-24-12-17)29-5-8-31-9-6-29/h2,4,10-13,18H,3,5-9,14H2,1H3,(H,26,28)(H,27,30)/t18-/m0/s1
InChIKeyIUIWFOIUBQVEOC-SFHVURJKSA-N
MW434.50 g/mol
LogP2.20
Rot. Bonds5

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

5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide (PubChem CID 129315637) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
PubChem CID129315637
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C23H26N6O3/c1-15-21(23(30)27-18-3-7-32-14-18)28-22(26-15)20-11-16(2-4-25-20)17-10-19(13-24-12-17)29-5-8-31-9-6-29/h2,4,10-13,18H,3,5-9,14H2,1H3,(H,26,28)(H,27,30)/t18-/m0/s1
InChIKeyIUIWFOIUBQVEOC-SFHVURJKSA-N
XLogP2.20
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide (CID 129315637) is 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N[C@H]1CCOC1.
What is the InChIKey of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
The InChIKey is IUIWFOIUBQVEOC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15-21(23(30)27-18-3-7-32-14-18)28-22(26-15)20-11-16(2-4-25-20)17-10-19(13-24-12-17)29-5-8-31-9-6-29/h2,4,10-13,18H,3,5-9,14H2,1H3,(H,26,28)(H,27,30)/t18-/m0/s1.
What are the key properties of 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).