1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene

C29H29N5O3 — CID 145164316

IUPAC1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(Cc4cccc5[nH]ncc45)C(=O)C3)cc2c1.Cc1ccccc1
InChIInChI=1S/C22H21N5O3.C7H8/c1-30-16-5-6-18-15(9-16)10-20(24-18)22(29)27-8-7-26(21(28)13-27)12-14-3-2-4-19-17(14)11-23-25-19;1-7-5-3-2-4-6-7/h2-6,9-11,24H,7-8,12-13H2,1H3,(H,23,25);2-6H,1H3
InChIKeySNRQVCSSZZWEMJ-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.53
Rot. Bonds4

About 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene

1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene (PubChem CID 145164316) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene.

Molecular Properties

Compound Name1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene
PubChem CID145164316
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(Cc4cccc5[nH]ncc45)C(=O)C3)cc2c1.Cc1ccccc1
InChIInChI=1S/C22H21N5O3.C7H8/c1-30-16-5-6-18-15(9-16)10-20(24-18)22(29)27-8-7-26(21(28)13-27)12-14-3-2-4-19-17(14)11-23-25-19;1-7-5-3-2-4-6-7/h2-6,9-11,24H,7-8,12-13H2,1H3,(H,23,25);2-6H,1H3
InChIKeySNRQVCSSZZWEMJ-UHFFFAOYSA-N
XLogP4.53
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene?
The IUPAC name of 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene (CID 145164316) is 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene.
What is the SMILES notation for 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene?
The canonical SMILES for 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene is COc1ccc2[nH]c(C(=O)N3CCN(Cc4cccc5[nH]ncc45)C(=O)C3)cc2c1.Cc1ccccc1.
What is the InChIKey of 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene?
The InChIKey is SNRQVCSSZZWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3.C7H8/c1-30-16-5-6-18-15(9-16)10-20(24-18)22(29)27-8-7-26(21(28)13-27)12-14-3-2-4-19-17(14)11-23-25-19;1-7-5-3-2-4-6-7/h2-6,9-11,24H,7-8,12-13H2,1H3,(H,23,25);2-6H,1H3.
What are the key properties of 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene?
1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene has a molecular weight of 495.58 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one;toluene is sourced from PubChem (CID 145164316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).