trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile

C19H24N4O2 — CID 129277533

IUPACtrans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile
SMILESCc1cc2c(nc1N1CCC(OC[C@@]3(C)C[C@H]3C#N)CC1)CNC2=O
InChIInChI=1S/C19H24N4O2/c1-12-7-15-16(10-21-18(15)24)22-17(12)23-5-3-14(4-6-23)25-11-19(2)8-13(19)9-20/h7,13-14H,3-6,8,10-11H2,1-2H3,(H,21,24)/t13-,19+/m0/s1
InChIKeyUTONXMAOIHKISP-ORAYPTAESA-N
MW340.43 g/mol
LogP2.17
Rot. Bonds4

About trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile

trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 129277533) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile
PubChem CID129277533
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Nametrans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile
SMILESCc1cc2c(nc1N1CCC(OC[C@@]3(C)C[C@H]3C#N)CC1)CNC2=O
InChIInChI=1S/C19H24N4O2/c1-12-7-15-16(10-21-18(15)24)22-17(12)23-5-3-14(4-6-23)25-11-19(2)8-13(19)9-20/h7,13-14H,3-6,8,10-11H2,1-2H3,(H,21,24)/t13-,19+/m0/s1
InChIKeyUTONXMAOIHKISP-ORAYPTAESA-N
XLogP2.17
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile (CID 129277533) is trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile is Cc1cc2c(nc1N1CCC(OC[C@@]3(C)C[C@H]3C#N)CC1)CNC2=O.
What is the InChIKey of trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is UTONXMAOIHKISP-ORAYPTAESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-7-15-16(10-21-18(15)24)22-17(12)23-5-3-14(4-6-23)25-11-19(2)8-13(19)9-20/h7,13-14H,3-6,8,10-11H2,1-2H3,(H,21,24)/t13-,19+/m0/s1.
What are the key properties of trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile?
trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-methyl-2-[[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 129277533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).