Skip to content

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

Data last refreshed: (MolForge compound catalog, from PubChem)

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.