[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C20H21N5O2 — CID 129315612

IUPAC[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CC[C@H](O)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H21N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(27)25-6-4-17(26)11-25/h3,5,7-10,17,26H,4,6,11H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyMSVWAFQYIRUROU-KRWDZBQOSA-N
MW363.42 g/mol
LogP2.36
Rot. Bonds3

About [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 129315612) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID129315612
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CC[C@H](O)C4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H21N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(27)25-6-4-17(26)11-25/h3,5,7-10,17,26H,4,6,11H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyMSVWAFQYIRUROU-KRWDZBQOSA-N
XLogP2.36
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 129315612) is [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is Cc1nc(-c2cc(-c3cncc(C(=O)N4CC[C@H](O)C4)c3)ccn2)[nH]c1C.
What is the InChIKey of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is MSVWAFQYIRUROU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(27)25-6-4-17(26)11-25/h3,5,7-10,17,26H,4,6,11H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 129315612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).