N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C20H30N4O4 — CID 122552191

IUPACN-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCCCOc1nc2ccc(OCC3CC(OC[C@H](C)NC(C)=O)C3)nc2n1C
InChIInChI=1S/C20H30N4O4/c1-5-8-26-20-22-17-6-7-18(23-19(17)24(20)4)28-12-15-9-16(10-15)27-11-13(2)21-14(3)25/h6-7,13,15-16H,5,8-12H2,1-4H3,(H,21,25)/t13-,15?,16?/m0/s1
InChIKeyPDAJZMHDHUMBPV-JEYLPNPQSA-N
MW390.48 g/mol
LogP2.46
Rot. Bonds10

About N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122552191) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122552191
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCCCOc1nc2ccc(OCC3CC(OC[C@H](C)NC(C)=O)C3)nc2n1C
InChIInChI=1S/C20H30N4O4/c1-5-8-26-20-22-17-6-7-18(23-19(17)24(20)4)28-12-15-9-16(10-15)27-11-13(2)21-14(3)25/h6-7,13,15-16H,5,8-12H2,1-4H3,(H,21,25)/t13-,15?,16?/m0/s1
InChIKeyPDAJZMHDHUMBPV-JEYLPNPQSA-N
XLogP2.46
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(((3-Cyclobutyl-5-(3,4,5-trifluorophenoxy)-3H-imidazo(4,5-b)pyridin-2-yl)methyl)amino)propanamide
CID 129080919
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 993357
US10150728, Example I-477
CID 122497667
US10150728, Example I-487
CID 122497668
US10150728, Example I-478
CID 122497685
US10150728, Example I-511
CID 122497705
US10150728, Example I-497
CID 122497725
US10150728, Example I-517
CID 122497739
US10150728, Example I-503
CID 122497748
US10150728, Example I-516
CID 122497756
US10150728, Example I-499
CID 122497769
US10150728, Example I-515
CID 122497880

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122552191) is N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CCCOc1nc2ccc(OCC3CC(OC[C@H](C)NC(C)=O)C3)nc2n1C.
What is the InChIKey of N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is PDAJZMHDHUMBPV-JEYLPNPQSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-5-8-26-20-22-17-6-7-18(23-19(17)24(20)4)28-12-15-9-16(10-15)27-11-13(2)21-14(3)25/h6-7,13,15-16H,5,8-12H2,1-4H3,(H,21,25)/t13-,15?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[(3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122552191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).