6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C18H24N6O — CID 75991977

IUPAC6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCCn1cc(-c2nc(NC3CCCCC3N)cc3c2C(=O)NC3)cn1
InChIInChI=1S/C18H24N6O/c1-2-24-10-12(9-21-24)17-16-11(8-20-18(16)25)7-15(23-17)22-14-6-4-3-5-13(14)19/h7,9-10,13-14H,2-6,8,19H2,1H3,(H,20,25)(H,22,23)
InChIKeyFFDWUYASOWCJJD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.89
Rot. Bonds4

About 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 75991977) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID75991977
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCCn1cc(-c2nc(NC3CCCCC3N)cc3c2C(=O)NC3)cn1
InChIInChI=1S/C18H24N6O/c1-2-24-10-12(9-21-24)17-16-11(8-20-18(16)25)7-15(23-17)22-14-6-4-3-5-13(14)19/h7,9-10,13-14H,2-6,8,19H2,1H3,(H,20,25)(H,22,23)
InChIKeyFFDWUYASOWCJJD-UHFFFAOYSA-N
XLogP1.89
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 75991977) is 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is CCn1cc(-c2nc(NC3CCCCC3N)cc3c2C(=O)NC3)cn1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is FFDWUYASOWCJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-24-10-12(9-21-24)17-16-11(8-20-18(16)25)7-15(23-17)22-14-6-4-3-5-13(14)19/h7,9-10,13-14H,2-6,8,19H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 75991977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).