(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

C20H21N5O3 — CID 146593025

IUPAC(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1c1cccc(N2Cc3c(cc(C4CC4)nc3CN)C2=O)n1
InChIInChI=1S/C20H21N5O3/c1-11-10-28-20(27)25(11)18-4-2-3-17(23-18)24-9-14-13(19(24)26)7-15(12-5-6-12)22-16(14)8-21/h2-4,7,11-12H,5-6,8-10,21H2,1H3/t11-/m0/s1
InChIKeyIWNJMVICOCHGKO-NSHDSACASA-N
MW379.42 g/mol
LogP2.32
Rot. Bonds4

About (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 146593025) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID146593025
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1c1cccc(N2Cc3c(cc(C4CC4)nc3CN)C2=O)n1
InChIInChI=1S/C20H21N5O3/c1-11-10-28-20(27)25(11)18-4-2-3-17(23-18)24-9-14-13(19(24)26)7-15(12-5-6-12)22-16(14)8-21/h2-4,7,11-12H,5-6,8-10,21H2,1H3/t11-/m0/s1
InChIKeyIWNJMVICOCHGKO-NSHDSACASA-N
XLogP2.32
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[6-[6-[cyclopentyl(methyl)amino]-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 167495360
(4S)-3-[6-[6-(azetidin-1-yl)-4-(methylaminomethyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 146572082
tert-butyl N-[[6-[cyclopentyl(methyl)amino]-2-[6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495092
4-methyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110099068
4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611060
4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 170061989
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
(4R)-3-(3-aminophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67217943
(4S)-3-[6-[(4S)-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-1-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 171624782
4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611061
4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166824491
4-(aminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146610508

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 146593025) is (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1c1cccc(N2Cc3c(cc(C4CC4)nc3CN)C2=O)n1.
What is the InChIKey of (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is IWNJMVICOCHGKO-NSHDSACASA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-10-28-20(27)25(11)18-4-2-3-17(23-18)24-9-14-13(19(24)26)7-15(12-5-6-12)22-16(14)8-21/h2-4,7,11-12H,5-6,8-10,21H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[6-[4-(aminomethyl)-6-cyclopropyl-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 146593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).