[1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C30H35N7O — CID 176811741

IUPAC[1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCCn1nccc1-c1cc(C(=O)N2Cc3cnn(CC)c3C2)cc2cc(C3=CCCNC3)n(CC3CC3)c12
InChIInChI=1S/C30H35N7O/c1-3-36-26(9-11-32-36)25-13-23(30(38)34-18-24-16-33-37(4-2)28(24)19-34)12-22-14-27(21-6-5-10-31-15-21)35(29(22)25)17-20-7-8-20/h6,9,11-14,16,20,31H,3-5,7-8,10,15,17-19H2,1-2H3
InChIKeyUZXQTQWEBIGEGH-UHFFFAOYSA-N
MW509.66 g/mol
LogP4.68
Rot. Bonds7

About [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

[1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 176811741) has the molecular formula C30H35N7O and a molecular weight of 509.66 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID176811741
Molecular FormulaC30H35N7O
Molecular Weight509.66 g/mol
Exact Mass509.29
IUPAC Name[1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCCn1nccc1-c1cc(C(=O)N2Cc3cnn(CC)c3C2)cc2cc(C3=CCCNC3)n(CC3CC3)c12
InChIInChI=1S/C30H35N7O/c1-3-36-26(9-11-32-36)25-13-23(30(38)34-18-24-16-33-37(4-2)28(24)19-34)12-22-14-27(21-6-5-10-31-15-21)35(29(22)25)17-20-7-8-20/h6,9,11-14,16,20,31H,3-5,7-8,10,15,17-19H2,1-2H3
InChIKeyUZXQTQWEBIGEGH-UHFFFAOYSA-N
XLogP4.68
TPSA72.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.66
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 176811741) is [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is CCn1nccc1-c1cc(C(=O)N2Cc3cnn(CC)c3C2)cc2cc(C3=CCCNC3)n(CC3CC3)c12.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is UZXQTQWEBIGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O/c1-3-36-26(9-11-32-36)25-13-23(30(38)34-18-24-16-33-37(4-2)28(24)19-34)12-22-14-27(21-6-5-10-31-15-21)35(29(22)25)17-20-7-8-20/h6,9,11-14,16,20,31H,3-5,7-8,10,15,17-19H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
[1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 509.66 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(2-ethylpyrazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-5-yl)indol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 176811741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).