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

C22H26N8O — CID 157026925

IUPAC4-(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
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3C3(N)CC3C)C2=O)n1
InChIInChI=1S/C22H26N8O/c1-5-29-12-24-27-20(29)16-7-6-8-17(25-16)30-11-15-14(21(30)31)9-18(28(3)4)26-19(15)22(23)10-13(22)2/h6-9,12-13H,5,10-11,23H2,1-4H3
InChIKeyDJGHYACWQRVPHL-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.18
Rot. Bonds5

About 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

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 (PubChem CID 157026925) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157026925
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name4-(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
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3C3(N)CC3C)C2=O)n1
InChIInChI=1S/C22H26N8O/c1-5-29-12-24-27-20(29)16-7-6-8-17(25-16)30-11-15-14(21(30)31)9-18(28(3)4)26-19(15)22(23)10-13(22)2/h6-9,12-13H,5,10-11,23H2,1-4H3
InChIKeyDJGHYACWQRVPHL-UHFFFAOYSA-N
XLogP2.18
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[(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
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
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-(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
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
[2-[6-[4-(3,3-difluorocyclobutyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl-methylcarbamic acid
CID 175589575
[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
tert-butyl N-methyl-N-[[6-methyl-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146610855
6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146634090
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-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611381

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cnnc1-c1cccc(N2Cc3c(cc(N(C)C)nc3C3(N)CC3C)C2=O)n1.
What is the InChIKey of 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?
The InChIKey is DJGHYACWQRVPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-5-29-12-24-27-20(29)16-7-6-8-17(25-16)30-11-15-14(21(30)31)9-18(28(3)4)26-19(15)22(23)10-13(22)2/h6-9,12-13H,5,10-11,23H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 418.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157026925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).