4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C22H25N5O2 — CID 139349869

IUPAC4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)O)C2=O)c1
InChIInChI=1S/C22H25N5O2/c1-14(10-19-25-24-13-26(19)4)15-6-5-7-16(11-15)27-12-18-17(21(27)28)8-9-23-20(18)22(2,3)29/h5-9,11,13-14,29H,10,12H2,1-4H3
InChIKeyFAXUKZGBDGEKTH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.94
Rot. Bonds5

About 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 139349869) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID139349869
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC(Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)O)C2=O)c1
InChIInChI=1S/C22H25N5O2/c1-14(10-19-25-24-13-26(19)4)15-6-5-7-16(11-15)27-12-18-17(21(27)28)8-9-23-20(18)22(2,3)29/h5-9,11,13-14,29H,10,12H2,1-4H3
InChIKeyFAXUKZGBDGEKTH-UHFFFAOYSA-N
XLogP2.94
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

6-acetyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350174
6-bromo-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139349728
6-(3-hydroxyazetidine-1-carbonyl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350286
2-[3-bromo-5-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378844
6-[[(212C)ethyl(2-fluoro(212C)ethyl)amino]methyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one;hydrate
CID 167543953
2-[3-[1-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 164869178
2-[4-fluoro-3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139361043
6-[1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350002
2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(pyrrolidin-3-ylamino)-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139349726
2-[3-[1-ethoxy-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-4-methyl-3H-isoindol-1-one
CID 167642972
2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-[(3R)-piperidin-3-yl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350549
3-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 139350886

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 139349869) is 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CC(Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)O)C2=O)c1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is FAXUKZGBDGEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14(10-19-25-24-13-26(19)4)15-6-5-7-16(11-15)27-12-18-17(21(27)28)8-9-23-20(18)22(2,3)29/h5-9,11,13-14,29H,10,12H2,1-4H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 139349869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).