(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one

C33H39N7O4 — CID 144786772

IUPAC(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(N5CCN(C6COC6)CC5)cn4)cc4[nH]cnc34)CC2=O)cc1
InChIInChI=1S/C33H39N7O4/c1-21(23-4-7-27(42-3)8-5-23)40-17-24(14-31(40)41)22(2)44-33-32-30(35-20-36-32)15-29(37-33)28-9-6-25(16-34-28)38-10-12-39(13-11-38)26-18-43-19-26/h4-9,15-16,20-22,24,26H,10-14,17-19H2,1-3H3,(H,35,36)/t21-,22-,24-/m1/s1
InChIKeyVZHWVZWJSBBXJM-CQOQZXRMSA-N
MW597.72 g/mol
LogP3.93
Rot. Bonds9

About (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 144786772) has the molecular formula C33H39N7O4 and a molecular weight of 597.72 g/mol. Its IUPAC name is (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID144786772
Molecular FormulaC33H39N7O4
Molecular Weight597.72 g/mol
Exact Mass597.31
IUPAC Name(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(N5CCN(C6COC6)CC5)cn4)cc4[nH]cnc34)CC2=O)cc1
InChIInChI=1S/C33H39N7O4/c1-21(23-4-7-27(42-3)8-5-23)40-17-24(14-31(40)41)22(2)44-33-32-30(35-20-36-32)15-29(37-33)28-9-6-25(16-34-28)38-10-12-39(13-11-38)26-18-43-19-26/h4-9,15-16,20-22,24,26H,10-14,17-19H2,1-3H3,(H,35,36)/t21-,22-,24-/m1/s1
InChIKeyVZHWVZWJSBBXJM-CQOQZXRMSA-N
XLogP3.93
TPSA108.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 155521814
1-[4-[3-methoxy-4-[[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 118735326
1-[(2S)-2-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-[6-(methylamino)pyrazin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 155552710
1-[(2R)-2-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-[6-(methylamino)pyrazin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 155569301
2-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-N-phenylacetamide
CID 52948533
1H-benzimidazol-2-yl-[3-[3-(5-methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58546961
US10894784, Example 06.01
CID 129245393
US10894784, Example 65.01.02
CID 129245504
US10894784, Example 09.01
CID 129245859
US10894784, Example 167.02
CID 129246092
US10894784, Example 167.04
CID 137479143
US9573957, Example 86
CID 126602823

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one (CID 144786772) is (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one is COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(N5CCN(C6COC6)CC5)cn4)cc4[nH]cnc34)CC2=O)cc1.
What is the InChIKey of (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is VZHWVZWJSBBXJM-CQOQZXRMSA-N. The full InChI is InChI=1S/C33H39N7O4/c1-21(23-4-7-27(42-3)8-5-23)40-17-24(14-31(40)41)22(2)44-33-32-30(35-20-36-32)15-29(37-33)28-9-6-25(16-34-28)38-10-12-39(13-11-38)26-18-43-19-26/h4-9,15-16,20-22,24,26H,10-14,17-19H2,1-3H3,(H,35,36)/t21-,22-,24-/m1/s1.
What are the key properties of (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 597.72 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[[6-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 144786772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).