[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

C18H23N5O3 — CID 154784880

IUPAC[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2cc(N3CCOCC3)ccn2)C1
InChIInChI=1S/C18H23N5O3/c1-25-14-11-16(17-20-4-5-21-17)23(12-14)18(24)15-10-13(2-3-19-15)22-6-8-26-9-7-22/h2-5,10,14,16H,6-9,11-12H2,1H3,(H,20,21)/t14-,16?/m1/s1
InChIKeySQCDNNSQWZYTLD-IURRXHLWSA-N
MW357.41 g/mol
LogP1.24
Rot. Bonds4

About [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone

[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (PubChem CID 154784880) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
PubChem CID154784880
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2cc(N3CCOCC3)ccn2)C1
InChIInChI=1S/C18H23N5O3/c1-25-14-11-16(17-20-4-5-21-17)23(12-14)18(24)15-10-13(2-3-19-15)22-6-8-26-9-7-22/h2-5,10,14,16H,6-9,11-12H2,1H3,(H,20,21)/t14-,16?/m1/s1
InChIKeySQCDNNSQWZYTLD-IURRXHLWSA-N
XLogP1.24
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 127042087
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CID 122590453
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CID 56775042
CID 56775042
CID 127039819
CID 127039819
CID 156885912
CID 156885912
CID 172079946
CID 172079946
CID 129315487
CID 129315487
CID 129315521
CID 129315521
CID 129315528
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CID 129315637
CID 129315637

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The IUPAC name of [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone (CID 154784880) is [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The canonical SMILES for [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is CO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2cc(N3CCOCC3)ccn2)C1.
What is the InChIKey of [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
The InChIKey is SQCDNNSQWZYTLD-IURRXHLWSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-25-14-11-16(17-20-4-5-21-17)23(12-14)18(24)15-10-13(2-3-19-15)22-6-8-26-9-7-22/h2-5,10,14,16H,6-9,11-12H2,1H3,(H,20,21)/t14-,16?/m1/s1.
What are the key properties of [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone?
[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone has a molecular weight of 357.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone is sourced from PubChem (CID 154784880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).