4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C22H25N7O — CID 157026808

IUPAC4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3[C@H](C)N)C2=O)n1
InChIInChI=1S/C22H25N7O/c1-4-28-12-24-27-20(28)16-6-5-7-18(25-16)29-11-15-14(21(29)30)10-17(22(3)8-9-22)26-19(15)13(2)23/h5-7,10,12-13H,4,8-9,11,23H2,1-3H3/t13-/m0/s1
InChIKeyYMLSEFIHDPAORH-ZDUSSCGKSA-N
MW403.49 g/mol
LogP2.99
Rot. Bonds5

About 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one

4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 157026808) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID157026808
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3[C@H](C)N)C2=O)n1
InChIInChI=1S/C22H25N7O/c1-4-28-12-24-27-20(28)16-6-5-7-18(25-16)29-11-15-14(21(29)30)10-17(22(3)8-9-22)26-19(15)13(2)23/h5-7,10,12-13H,4,8-9,11,23H2,1-3H3/t13-/m0/s1
InChIKeyYMLSEFIHDPAORH-ZDUSSCGKSA-N
XLogP2.99
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

4-(1-aminoethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 172735811
4-[(1S)-1-aminopropyl]-2-[6-(4-cyclobutyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one;ethane
CID 157026938
2-[6-[4-[(2S)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611899
4-(1-aminoethyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 172730535
4-(1-amino-2-methylcyclopropyl)-6-(dimethylamino)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157026925
4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166824238
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-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572106
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 166627131
[6-chloro-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]carbamic acid
CID 172706044
2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 177126509
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 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 157026808) is 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CCn1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3[C@H](C)N)C2=O)n1.
What is the InChIKey of 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YMLSEFIHDPAORH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25N7O/c1-4-28-12-24-27-20(28)16-6-5-7-18(25-16)29-11-15-14(21(29)30)10-17(22(3)8-9-22)26-19(15)13(2)23/h5-7,10,12-13H,4,8-9,11,23H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 403.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).