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

C22H24FN5O — CID 139349868

IUPAC4-(2-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESC[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)F)C2=O)c1
InChIInChI=1S/C22H24FN5O/c1-14(10-19-26-25-13-27(19)4)15-6-5-7-16(11-15)28-12-18-17(21(28)29)8-9-24-20(18)22(2,3)23/h5-9,11,13-14H,10,12H2,1-4H3/t14-/m1/s1
InChIKeyUJDAJLYBWRWRCN-CQSZACIVSA-N
MW393.47 g/mol
LogP3.92
Rot. Bonds5

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

4-(2-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 139349868) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-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-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID139349868
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name4-(2-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESC[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)F)C2=O)c1
InChIInChI=1S/C22H24FN5O/c1-14(10-19-26-25-13-27(19)4)15-6-5-7-16(11-15)28-12-18-17(21(28)29)8-9-24-20(18)22(2,3)23/h5-9,11,13-14H,10,12H2,1-4H3/t14-/m1/s1
InChIKeyUJDAJLYBWRWRCN-CQSZACIVSA-N
XLogP3.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-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-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 139349868) is 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-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-fluoropropan-2-yl)-2-[3-[(2R)-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-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is C[C@H](Cc1nncn1C)c1cccc(N2Cc3c(ccnc3C(C)(C)F)C2=O)c1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is UJDAJLYBWRWRCN-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14(10-19-26-25-13-27(19)4)15-6-5-7-16(11-15)28-12-18-17(21(28)29)8-9-24-20(18)22(2,3)23/h5-9,11,13-14H,10,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(2-fluoropropan-2-yl)-2-[3-[(2R)-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 393.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-2-[3-[(2R)-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 139349868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).